@article{jaszewski_fields_chung_jones_orson_reinke_ihlefeld_2024, title={Impact of high-power impulse magnetron sputtering pulse width on the nucleation, crystallization, microstructure, and ferroelectric properties of hafnium oxide thin films}, volume={42}, ISSN={["1520-8559"]}, DOI={10.1116/6.0003307}, abstractNote={The impact of the high-power impulse magnetron sputtering (HiPIMS) pulse width on the crystallization, microstructure, and ferroelectric properties of undoped HfO2 films is investigated. HfO2 films were sputtered from a hafnium metal target in an Ar/O2 atmosphere, varying the instantaneous power density by changing the HiPIMS pulse width with fixed time-averaged power and pulse frequency. The pulse width is shown to affect the ion-to-neutral ratio in the depositing species with the shortest pulse durations leading to the highest ion fraction. In situ x-ray diffraction measurements during crystallization demonstrate that the HiPIMS pulse width impacts nucleation and phase formation, with an intermediate pulse width of 110 μs stabilizing the ferroelectric phase over the widest temperature range. Although the pulse width impacts the grain size with the lowest pulse width resulting in the largest grain size, the grain size does not strongly correlate with the phase content or ferroelectric behavior in these films. These results suggest that precise control over the energetics of the depositing species may be beneficial for forming the ferroelectric phase in this material.}, number={2}, journal={JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A}, author={Jaszewski, Samantha T. and Fields, Shelby S. and Chung, Ching-Chang and Jones, Jacob L. and Orson, Keithen G. and Reinke, Petra and Ihlefeld, Jon F.}, year={2024}, month={Mar} }
 @article{wesley_bellcase_forrester_dickey_reaney_jones_2024, title={Solid state synthesis of BiFeO<sub>3</sub> occurs through the intermediate Bi<sub>25</sub>FeO<sub>39</sub> compound}, volume={2}, ISSN={["1551-2916"]}, url={https://doi.org/10.1111/jace.19702}, DOI={10.1111/jace.19702}, abstractNote={The solid‐state synthesis of perovskite BiFeO3 has been a topic of interest for decades. Many studies have reported challenges in the synthesis of BiFeO3 from starting oxides of Bi2O3 and Fe2O3, mainly associated with the development of persistent secondary phases such as Bi25FeO39 (sillenite) and Bi2Fe4O9 (mullite). These secondary phases are thought to be a consequence of unreacted Fe‐rich and Bi‐rich regions, that is, incomplete interdiffusion. In the present work, in situ high‐temperature X‐ray diffraction is used to demonstrate that Bi2O3 first reacts with Fe2O3 to form sillenite Bi25FeO39, which then reacts with the remaining Fe2O3 to form BiFeO3. Therefore, the synthesis of perovskite BiFeO3 is shown to occur via a two‐step reaction sequence with Bi25FeO39 as an intermediate compound. Because Bi25FeO39 and the γ‐Bi2O3 phase are isostructural, it is difficult to discriminate them solely from X‐ray diffraction. Evidence is presented for the existence of the intermediate sillenite Bi25FeO39 using quenching experiments, comparisons between Bi2O3 behavior by itself and in the presence of Fe2O3, and crystal structure examination. With this new information, a proposed reaction pathway from the starting oxides to the product is presented.}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, publisher={Wiley}, author={Wesley, Corrado and Bellcase, Leah and Forrester, Jennifer S. and Dickey, Elizabeth C. and Reaney, Ian M. and Jones, Jacob L.}, year={2024}, month={Feb} }
 @article{jaszewski_hoglund_costine_weber_fields_sales_vaidya_bellcase_loughlin_salanova_et al._2023, title={'Impact of oxygen content on phase constitution and ferroelectric behavior of hafnium oxide thin films deposited by reactive high-power impulse magnetron sputtering' (vol 239, 118220, 2022)}, volume={244}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2022.118567}, journal={ACTA MATERIALIA}, author={Jaszewski, Samantha T. and Hoglund, Eric R. and Costine, Anna and Weber, Marc H. and Fields, Shelby S. and Sales, Maria Gabriela and Vaidya, Jaykumar and Bellcase, Leah and Loughlin, Katie and Salanova, Alejandro and et al.}, year={2023}, month={Jan} }
 @article{zhao_prosandeev_bellaiche_li_zhang_li_jones_2023, title={Bridging the gap between the short-range to long-range structural descriptions of the lead magnesium niobate relaxor}, volume={258}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2023.119171}, abstractNote={The structure-property relationships on different length scales and their connections to the macroscopic piezoelectric and dielectric properties are one of the most fascinating topics of relaxor ferroelectrics and need to be further explored. Here, we provide structural insights into the gap between the short-range structure and the long-range structure of the classical relaxor ferroelectric lead magnesium niobate (PMN) using a combination of theoretical simulations and pair distribution function (PDF) analysis. Our study shows that PMN exhibits a disordered low-symmetry structure at the smallest length scale (1–10 Å) and a cubic crystallographic average structure at large length scale. A rhombohedral phase is observed at the intermediate length scale (∼ 20–70 Å), resulting from chemical ordered regions with the ordered local electric field and associated quasi-correlated Pb displacements. Our work advances the understanding of the structures of relaxor ferroelectrics at different length scales and the relationships among them.}, journal={ACTA MATERIALIA}, author={Zhao, Changhao and Prosandeev, Sergey and Bellaiche, Laurent and Li, Fei and Zhang, Shujun and Li, Shengtao and Jones, Jacob L.}, year={2023}, month={Oct} }
 @article{horgan_hsain_jones_grieger_2023, title={Development and application of screening-level risk analysis for emerging materials}, volume={35}, ISSN={2214-9937}, url={http://dx.doi.org/10.1016/j.susmat.2022.e00524}, DOI={10.1016/j.susmat.2022.e00524}, abstractNote={Analysis of a material's impact on society is increasingly recognized as a necessary step in materials development, especially in the area of lead-free piezoelectrics. Evaluations of the environmental, health, and societal impacts that occur throughout the material's life cycle are critical for determining the viability of lead-free alternatives. Risk screening approaches, such as the screening-level Emerging Materials Risk Analysis (EMRA) proposed in this work, may help researchers compare materials or material production routes to determine more sustainable solutions. As a first demonstration of its utility in the development of lead-free piezoelectrics, the approach introduced in this paper is applied to piezoelectric HfO2 (hafnia) to compare mining and processing routes and to elucidate the more sustainable route for HfO2 production. This paper aims to exemplify how the EMRA risk screening approach incorporates perspectives on environmental, health, and societal impacts into the materials research process by providing a relative risk screening evaluation of different material processing routes and/or different materials. Results from applying EMRA to hafnia show that the major known environmental impacts of hafnia mining and processing involve ecosystem destruction and heavy use of fossil fuels and electricity; health impacts related to potentially unsafe working conditions and potential exposure to radioactive elements; and societal impacts including land disputes and supply concerns. Results also demonstrate that the more sustainable production route currently available includes commercial wet mining with land rehabilitation followed by beneficiation via wet processes with consistent personal protective equipment use and water recycling. Almost all of the previously-mentioned impacts are avoided in this life cycle route. Outcomes from this analysis identify hafnia as a potentially sustainable replacement for certain applications of PZT and therefore encourage continued development of the material. Future efforts will test EMRA on a wide variety of other materials and revise the approach accordingly.}, journal={Sustainable Materials and Technologies}, publisher={Elsevier BV}, author={Horgan, Madison D. and Hsain, H. Alex and Jones, Jacob L. and Grieger, Khara D.}, year={2023}, month={Apr}, pages={e00524} }
 @article{madison_gillan_peace_gabrieli_broeck_jones_sozzani_2023, title={Phosphate starvation: response mechanisms and solutions}, volume={8}, ISSN={["1460-2431"]}, url={https://doi.org/10.1093/jxb/erad326}, DOI={10.1093/jxb/erad326}, abstractNote={Phosphorus is essential to plant growth and agricultural crop yields, yet the challenges associated with phosphorus fertilization in agriculture, such as aquatic runoff pollution and poor phosphorus bioavailability, are increasingly difficult to manage. Comprehensively understanding the dynamics of phosphorus uptake and signaling mechanisms will inform the development of strategies to address these issues. This review describes regulatory mechanisms used by specific tissues in the root apical meristem to sense and uptake phosphate from the rhizosphere. The major regulatory mechanisms and related hormone crosstalk underpinning phosphate starvation responses, cellular phosphate homeostasis, and plant adaptations to phosphate starvation are also discussed in this review. In addition, this review overviews the major mechanism of plant systemic phosphate starvation responses. Finally, this review discusses recent promising genetic engineering strategies for improving crop phosphorus use and computational approaches that may help further design strategies for improved plant phosphate acquisition. The mechanisms and approaches presented in this review include a wide variety of species not only including Arabidopsis thaliana but also including crop species such as Oryza sativa (rice), Glycine max (soybean), and Triticum aestivum (wheat) to address both general and species-specific mechanisms and strategies. The aspects of phosphorus deficiency responses and recently employed strategies of improving phosphate acquisition that are detailed in this review may provide insights on the mechanisms or phenotypes that may be targeted in efforts to improve crop phosphorus content and plant growth in low phosphorus soils.}, journal={JOURNAL OF EXPERIMENTAL BOTANY}, author={Madison, Imani and Gillan, Lydia and Peace, Jasmine and Gabrieli, Flavio and Broeck, Lisa and Jones, Jacob L. and Sozzani, Rosangela}, editor={Ort, DonaldEditor}, year={2023}, month={Aug} }
 @article{hsain_lee_lancaster_lomenzo_xu_mikolajick_schroeder_parsons_jones_2023, title={Reduced fatigue and leakage of ferroelectric TiN/Hf0.5Zr0.5O2/TiN capacitors by thin alumina interlayers at the top or bottom interface}, volume={34}, ISSN={["1361-6528"]}, DOI={10.1088/1361-6528/acad0a}, abstractNote={Hf0.5Zr0.5O2 (HZO) thin films are promising candidates for non-volatile memory and other related applications due to their demonstrated ferroelectricity at the nanoscale and compatibility with Si processing. However, one reason that HZO has not been fully scaled into industrial applications is due to its deleterious wake-up and fatigue behavior which leads to an inconsistent remanent polarization during cycling. In this study, we explore an interfacial engineering strategy in which we insert 1 nm Al2O3 interlayers at either the top or bottom HZO/TiN interface of sequentially deposited metal-ferroelectric-metal capacitors. By inserting an interfacial layer while limiting exposure to the ambient environment, we successfully introduce a protective passivating layer of Al2O3 that provides excess oxygen to mitigate vacancy formation at the interface. We report that TiN/HZO/TiN capacitors with a 1 nm Al2O3 at the top interface demonstrate a higher remanent polarization (2Pr ∼ 42 μC cm−2) and endurance limit beyond 108 cycles at a cycling field amplitude of 3.5 MV cm−1. We use time-of-flight secondary ion mass spectrometry, energy dispersive spectroscopy, and grazing incidence x-ray diffraction to elucidate the origin of enhanced endurance and leakage properties in capacitors with an inserted 1 nm Al2O3 layer. We demonstrate that the use of Al2O3 as a passivating dielectric, coupled with sequential ALD fabrication, is an effective means of interfacial engineering and enhances the performance of ferroelectric HZO devices.}, number={12}, journal={NANOTECHNOLOGY}, author={Hsain, H. Alex and Lee, Younghwan and Lancaster, Suzanne and Lomenzo, Patrick D. and Xu, Bohan and Mikolajick, Thomas and Schroeder, Uwe and Parsons, Gregory N. and Jones, Jacob L.}, year={2023}, month={Mar} }
 @article{silva_alcala_avci_barrett_begon-lours_borg_byun_chang_cheong_choe_et al._2023, title={Roadmap on ferroelectric hafnia- and zirconia-based materials and devices}, volume={11}, ISSN={["2166-532X"]}, DOI={10.1063/5.0148068}, abstractNote={Ferroelectric hafnium and zirconium oxides have undergone rapid scientific development over the last decade, pushing them to the forefront of ultralow-power electronic systems. Maximizing the potential application in memory devices or supercapacitors of these materials requires a combined effort by the scientific community to address technical limitations, which still hinder their application. Besides their favorable intrinsic material properties, HfO2–ZrO2 materials face challenges regarding their endurance, retention, wake-up effect, and high switching voltages. In this Roadmap, we intend to combine the expertise of chemistry, physics, material, and device engineers from leading experts in the ferroelectrics research community to set the direction of travel for these binary ferroelectric oxides. Here, we present a comprehensive overview of the current state of the art and offer readers an informed perspective of where this field is heading, what challenges need to be addressed, and possible applications and prospects for further development.}, number={8}, journal={APL MATERIALS}, author={Silva, Jose P. B. and Alcala, Ruben and Avci, Uygar E. and Barrett, Nick and Begon-Lours, Laura and Borg, Mattias and Byun, Seungyong and Chang, Sou-Chi and Cheong, Sang-Wook and Choe, Duk-Hyun and et al.}, year={2023}, month={Aug} }
 @article{gabilondo_newell_broughton_koldemir_poettgen_jones_maggard_2023, title={Switching Lead for Tin in PbHfO<sub>3</sub>: Noncubic Structure of SnHfO<sub>3</sub>}, volume={9}, ISSN={["1521-3773"]}, DOI={10.1002/anie.202312130}, abstractNote={The removal of lead from commercialized perovskite-oxide-based piezoceramics has been a recent major topic in materials research owing to legislation in many countries. In this regard, Sn(II)-perovskite oxides have garnered keen interest due to their predicted large spontaneous electric polarizations and isoelectronic nature for substitution of Pb(II) cations. However, they have not been considered synthesizable owing to their high metastability. Herein, the perovskite lead hafnate, i.e., PbHfO3 in space group Pbam, is shown to react with SnClF at a low temperature of 300 °C, and resulting in the first complete Sn(II)-for-Pb(II) substitution, i.e. SnHfO3. During this topotactic transformation, a high purity and crystallinity is conserved with Pbam symmetry, as confirmed by X-ray and electron diffraction, elemental analysis, and 119Sn Mössbauer spectroscopy. In situ diffraction shows SnHfO3 also possesses reversible phase transformations and is potentially polar between ~130-200 °C. This so-called 'de-leadification' is thus shown to represent a highly useful strategy to fully remove lead from perovskite-oxide-based piezoceramics and opening the door to new explorations of polar and antipolar Sn(II)-oxide materials.}, journal={ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, author={Gabilondo, Eric A. and Newell, Ryan J. and Broughton, Rachel and Koldemir, Aylin and Poettgen, Rainer and Jones, Jacob L. and Maggard, Paul A.}, year={2023}, month={Sep} }
 @article{hsain_lee_lomenzo_alcala_xu_mikolajick_schroeder_parsons_jones_2023, title={Wake-up free ferroelectric hafnia-zirconia capacitors fabricated via vacuum-maintaining atomic layer deposition}, volume={133}, ISSN={["1089-7550"]}, url={https://doi.org/10.1063/5.0147124}, DOI={10.1063/5.0147124}, abstractNote={Ferroelectric hafnium-zirconium oxide (HZO) is an excellent candidate for low-power non-volatile memory applications due to its demonstrated ferroelectricity at the nanoscale and compatibility with silicon-based technologies. The interface of HZO in contact with its electrode, typically TiN in a metal–ferroelectric–metal (MFM) capacitor configuration, is of particular interest because factors, such as volume confinement, impurity concentration, interfacial layers, thermal expansion mismatch, and defect trapping, are believed to play a crucial role in the ferroelectric performance of HZO-based devices. Processing variables, such as precursor type, oxygen source, dose duration, and deposition temperature, are known to strongly affect the quality of the oxide–metal interface. However, not many studies have focused on the effect of breaking or maintaining vacuum during MFM deposition. In this study, sequential, no-atmosphere processing (SNAP) is employed to avoid atmospheric exposure, where electrode TiN and ferroelectric HZO are deposited sequentially in the atomic layer deposition chamber without breaking vacuum. The effect of breaking vacuum during the sequential deposition steps is elucidated by fabricating and characterizing MFM capacitors with and without intentional vacuum breaks prior to the deposition of the HZO and top TiN. Using x-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry (ToF-SIMS), we reveal that breaking vacuum after bottom TiN electrode deposition leads to interfacial oxidation and increased carbon contamination, which preferentially stabilizes the non-ferroelectric tetragonal phase and lead to diminished remanent polarization. Avoiding carbon impurities and interfacial TiOx at the HZO and TiN interface using SNAP leads to heightened remanent polarization, reduced leakage current density, and elimination of the wake-up effect. Our work highlights the effect of vacuum breaking on the processing-structure-properties of HZO-based capacitors, revealing that maintaining vacuum can significantly improve ferroelectric properties.}, number={22}, journal={JOURNAL OF APPLIED PHYSICS}, author={Hsain, H. Alex and Lee, Younghwan and Lomenzo, Patrick D. and Alcala, Ruben and Xu, Bohan and Mikolajick, Thomas and Schroeder, Uwe and Parsons, Gregory N. and Jones, Jacob L.}, year={2023}, month={Jun} }
 @article{gabilondo_newell_chestnut_weng_jones_maggard_2022, title={Circumventing thermodynamics to synthesize highly metastable perovskites: nano eggshells of SnHfO3}, volume={11}, ISSN={["2516-0230"]}, DOI={10.1039/d2na00603k}, abstractNote={Sn(ii)-based perovskite oxides, being the subject of longstanding theoretical interest for the past two decades, have been synthesized for the first time in the form of nano eggshell particle morphologies. All past reported synthetic attempts have been unsuccessful owing to their metastable nature, i.e., by their thermodynamic instability towards decomposition to their constituent oxides. A new approach was discovered that finally provides an effective solution to surmounting this intractable synthetic barrier and which can be the key to unlocking the door to many other predicted metastable oxides. A low-melting KSn2Cl5 salt was utilized to achieve a soft topotactic exchange of Sn(ii) cations into a Ba-containing perovskite, i.e., BaHfO3 with particle sizes of ∼350 nm, at a low reaction temperature of 200 °C. The resulting particles exhibit nanoshell-over-nanoshell morphologies, i.e., with SnHfO3 forming as ∼20 nm thick shells over the surfaces of the BaHfO3 eggshell particles. Formation of the metastable SnHfO3 is found to be thermodynamically driven by the co-production of the highly stable BaCl2 and KCl side products. Despite this, total energy calculations show that Sn(ii) distorts from the A-site asymmetrically and randomly and the interdiffusion has a negligible impact on the energy of the system (i.e., layered vs. solid solution). Additionally, nano eggshell particle morphologies of BaHfO3 were found to yield highly pure SnHfO3 for the first time, thus circumventing the intrinsic ion-diffusion limits occurring at this low reaction temperature. In summary, these results demonstrate that the metastability of many theoretically predicted Sn(ii)-perovskites can be overcome by leveraging the high cohesive energies of the reactants, the exothermic formation of a stable salt side product, and a shortened diffusion pathway for the Sn(ii) cations.}, journal={NANOSCALE ADVANCES}, author={Gabilondo, Eric A. and Newell, Ryan J. and Chestnut, Jessica and Weng, James and Jones, Jacob L. and Maggard, Paul A.}, year={2022}, month={Nov} }
 @article{kang_kim_lee_mhin_ryu_kim_jones_son_lee_lee_et al._2022, title={High-power energy harvesting and imperceptible pulse sensing through peapod-inspired hierarchically designed piezoelectric nanofibers}, volume={99}, ISSN={["2211-3282"]}, DOI={10.1016/j.nanoen.2022.107386}, abstractNote={High-performance energy harvesting for human-sensing applications has been achieved through recent progress in piezoelectric-based wearable devices. Piezoelectric nanomaterials can be leveraged for flexibility and biocompatibility while also enhancing piezoelectricity. However, such nanomaterials exhibit low piezoelectricity, limits the industrial-scale development of highly efficient piezoelectric devices. Hence, design of novel materials to significantly enhance piezoelectricity is necessitated. Herein, we demonstrate that a peapod-inspired design in which ZnSnO3 anchored on surface-modified carbon nanotubes (CNT) allows significant enhancement of the piezoelectricity produced by poly(vinylidene fluoride-co-trifluoroethylene)-based (P(VDF-TrFE)-based) nanofibers (a piezoelectric material). The piezoelectric properties were exploited for the application of the as-prepared nanofibers (NFs) in flexible NFs in energy-harvesting and pulse-sensing systems, which demonstrated high output power ((97.5 V and 1.16 μA) as well as imperceptible pulse detection even in posterior tibial arteries. This work provides the scientific and engineering framework for delivering ZnSnO3-surface-modified CNT-P(VDF-TrFE) NFs excellent piezoelectric performance for use in piezoelectric devices.}, journal={NANO ENERGY}, author={Kang, Sukhyun and Kim, Sang Hoon and Lee, Han Bit and Mhin, Sungwook and Ryu, Jeong Ho and Kim, Young Won and Jones, Jacob L. and Son, Yong and Lee, Nak Kyu and Lee, Kangpyo and et al.}, year={2022}, month={Aug} }
 @article{jaszewski_hoglund_costine_weber_fields_sales_vaidya_bellcase_loughlin_salanova_et al._2022, title={Impact of oxygen content on phase constitution and ferroelectric behavior of hafnium oxide thin films deposited by reactive high-power impulse magnetron sputtering}, volume={239}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2022.118220}, journal={ACTA MATERIALIA}, author={Jaszewski, Samantha T. and Hoglund, Eric R. and Costine, Anna and Weber, Marc H. and Fields, Shelby S. and Sales, Maria Gabriela and Vaidya, Jaykumar and Bellcase, Leah and Loughlin, Katie and Salanova, Alejandro and et al.}, year={2022}, month={Oct} }
 @article{zhao_funni_molina_dickey_jones_2022, title={Inhomogeneous electric field-induced structural changes in soft lead zirconate titanate ferroelectric ceramics}, volume={226}, ISSN={["1873-2453"]}, url={https://app.dimensions.ai/details/publication/pub.1144897101}, DOI={10.1016/j.actamat.2022.117682}, abstractNote={Under the application of an external voltage, high electric field concentrations can develop around the interdigitated electrode edges inside multilayer ceramic actuators (MLCAs). The spatial distribution of the local electrical field can create local inhomogeneity in the electromechanical response. To investigate the complex field inhomogeneity in MLCAs, partially electroded Nb-doped PbZrxTi1-xO3 samples were investigated via synchrotron-based high-energy X-ray diffraction (XRD) as a function of applied electric field. These in situ experiments allowed us to probe the structural changes as a function of position relative to the electrode edge and calculate the local degree of domain alignment, from which the local electric field directions were inferred. The domain switching behavior, both in amplitude and orientation, was found to be spatially dependent across the inactive regions in partially electroded samples. Specifically, the degree of domain alignment and field-induced phase transitions are amplified near the electrode edge. The orientation-dependent phase transitions are also amplified for the tetragonal composition near the morphotropic phase boundary (MPB), i.e., the Nb-doped PbZr0.53Ti0.47O3 composition. Finite element analysis (FEA) shows spatially-dependent, inhomogeneous electric field distributions in the partial-electrode samples, which closely match the experimentally inferred local electric field directions from XRD. The correlation of FEA and experimental data from XRD corroborates that the ferroelectric domain orientation distributions are being directed, primarily, in the direction of the electric field.}, number={ARTN 117682}, journal={ACTA MATERIALIA}, author={Zhao, Jianwei and Funni, Stephen D. and Molina, Emily R. and Dickey, Elizabeth C. and Jones, Jacob L.}, year={2022}, month={Mar} }
 @misc{hsain_lee_materano_mittmann_payne_mikolajick_schroeder_parsons_jones_2022, title={Many routes to ferroelectric HfO2: A review of current deposition methods}, volume={40}, ISSN={["1520-8559"]}, url={https://doi.org/10.1116/6.0001317}, DOI={10.1116/6.0001317}, abstractNote={Although 10 years have passed since the initial report of ferroelectricity in hafnia (HfO2), researchers are still intensely fascinated by this material system and the promise it holds for future applications. A wide variety of deposition methods have been deployed to create ferroelectric HfO2 thin films such as atomic layer deposition, chemical solution deposition, and physical vapor deposition methods such as sputtering and pulsed laser deposition. Process and design parameters such as deposition temperature, precursor choice, target source, vacuum level, reactive gases, substrate strain, and many others are often integral in stabilizing the polar orthorhombic phase and ferroelectricity. We examine processing parameters across four main different deposition methods and their effect on film microstructure, phase evolution, defect concentration, and resultant electrical properties. The goal of this review is to integrate the process knowledge collected over the past 10 years in the field of ferroelectric HfO2 into a single comprehensive guide for the design of future HfO2-based ferroelectric materials and devices.}, number={1}, journal={JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A}, author={Hsain, Hanan Alexandra and Lee, Younghwan and Materano, Monica and Mittmann, Terence and Payne, Alexis and Mikolajick, Thomas and Schroeder, Uwe and Parsons, Gregory N. and Jones, Jacob L.}, year={2022}, month={Jan} }
 @article{zhi_paterson_call_jones_hesterberg_duckworth_poitras_knappe_2022, title={Mechanisms of orthophosphate removal from water by lanthanum carbonate and other lanthanum-containing materials}, volume={820}, ISSN={["1879-1026"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-85123356200&partnerID=MN8TOARS}, DOI={10.1016/j.scitotenv.2022.153153}, abstractNote={Removing phosphorus (P) from water and wastewater is essential for preventing eutrophication and protecting environmental quality. Lanthanum [La(III)]-containing materials can effectively and selectively remove orthophosphate (PO4) from aqueous systems, but there remains a need to better understand the underlying mechanism of PO4 removal. Our objectives were to 1) identify the mechanism of PO4 removal by La-containing materials and 2) evaluate the ability of a new material, La2(CO3)3(s), to remove PO4 from different aqueous matrices, including municipal wastewater. We determined the dominant mechanism of PO4 removal by comparing geochemical simulations with equilibrium data from batch experiments and analyzing reaction products by X-ray diffraction and scanning transmission electron microscopy with energy dispersive spectroscopy. Geochemical simulations of aqueous systems containing PO4 and La-containing materials predicted that PO4 removal occurs via precipitation of poorly soluble LaPO4(s). Results from batch experiments agreed with those obtained from geochemical simulations, and mineralogical characterization of the reaction products were consistent with PO4 removal occurring primarily by precipitation of LaPO4(s). Between pH 1.5 and 12.9, La2(CO3)3(s) selectively removed PO4 over other anions from different aqueous matrices, including treated wastewater. However, the rate of PO4 removal decreased with increasing solution pH. In comparison to other solids, such as La(OH)3(s), La2(CO3)3(s) exhibits a relatively low solubility, particularly under slightly acidic conditions. Consequently, release of La3+ into the environment can be minimized when La2(CO3)3(s) is deployed for PO4 sequestration.}, journal={SCIENCE OF THE TOTAL ENVIRONMENT}, author={Zhi, Yue and Paterson, Alisa R. and Call, Douglas F. and Jones, Jacob L. and Hesterberg, Dean and Duckworth, Owen W. and Poitras, Eric P. and Knappe, Detlef R. U.}, year={2022}, month={May} }
 @article{lukacs_airimioaei_padurariu_curecheriu_ciomaga_bencan_drazic_avakian_jones_stoian_et al._2022, title={Phase coexistence and grain size effects on the functional properties of BaTiO3 ceramics}, volume={42}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2021.12.024}, abstractNote={The functional properties of a series of BaTiO3 ceramics, having grain sizes ranging from 75 nm to 2.25 μm, with polymorph coexistence around room temperature are presented. Large temperature ranges of phase coexistence were detected through structural analyses, with no apparent size effect on the extension of co-existence domain, while the transition temperatures vary with grain size. Permittivity values are among the highest reported and the typical maximum around 1 μm grain size is confirmed by low field measurements and sub-switching Rayleigh analysis. An interesting feature not reported elsewhere is the persistence of permittivity maximum above Curie temperature and under high dc field at saturation, where domain walls contribution is minimal, raising questions about the largely accepted interpretation concerning the domain walls role on permittivity maximum. The planar defects in the starting powders give rise to extended strained defects in the ceramics, impacting their functional properties and multi-phase character.}, number={5}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Lukacs, V. A. and Airimioaei, M. and Padurariu, L. and Curecheriu, L. P. and Ciomaga, C. E. and Bencan, A. and Drazic, G. and Avakian, M. and Jones, J. L. and Stoian, G. and et al.}, year={2022}, month={May}, pages={2230–2247} }
 @article{o'donnell_osborn_krishnan_block_koldemir_small_broughton_jones_pottgen_andersson_et al._2022, title={Prediction and Kinetic Stabilization of Sn(II)-Perovskite Oxide Nanoshells}, volume={8}, ISSN={["1520-5002"]}, DOI={10.1021/acs.chemmater.2c02192}, abstractNote={The synthesis of kinetically stabilized, i.e., metastable, dielectric semiconductors, represents a major frontier within technologically important fields as compared to thermodynamically stable solids that have received considerably more attention. Of long-standing theoretical interest are Sn(II) perovskites [e.g., Sn(Zr1/2Ti1/2)O3 (SZT)], which are isoelectronic Pb-free analogues of Pb(Zr1/2Ti1/2)O3 (PZT), a commercial piezoelectric composition that is dominant in the electronics industry. Herein, we describe the synthesis of this metastable SZT dielectric through a low-temperature flux reaction technique. The SZT has been found, for the first time, to grow and to be stabilized as a nanoshell at the surfaces of Ba(Zr1/2Ti1/2)O3 (BZT) particles, i.e., forming as BZT–SZT core–shell particles, as a result of Sn(II) cation exchange. In situ powder X-ray diffraction (XRD) and transmission electron microscopy data show that the SZT nanoshells result from the controlled cation diffusion of Sn(II) cations into the BZT particles, with tunable thicknesses of ∼25–100 nm. The SZT nanoshell is calculated to possess a metastability of approximately −0.5 eV atom–1 with respect to decomposition to SnO, ZrO2, and TiO2 and cannot currently be prepared as stand-alone particles. Rietveld refinements of the XRD data are consistent with a two-phase BZT–SZT model, with each phase possessing a generally cubic perovskite-type structure and nearly identical lattice parameters. Mössbauer spectroscopic data (119Sn) are consistent with Sn(II) cations within the SZT nanoshells and an outer ∼5–10 nm surface region comprised of oxidized Sn(IV) cations from exposure to air and water. The optical band gap of the SZT shell was found to be ∼2.2 eV, which is red-shifted by ∼1.2 eV compared to that of BZT. This closing of the band gap was probed by X-ray photoelectron spectroscopy and found to stem from a shift of the valence band edge to higher energies (∼1.07 eV) as a result of the addition of the Sn 5s2 orbitals forming a new higher-energy valence band. In summary, a novel synthetic tactic is demonstrated to be effective in preparing metastable SZT and representing a generally useful strategy for the kinetic stabilization of other predicted, metastable dielectrics.}, journal={CHEMISTRY OF MATERIALS}, author={O'Donnell, Shaun and Osborn, D. J. and Krishnan, Gowri and Block, Theresa and Koldemir, Aylin and Small, Thomas D. and Broughton, Rachel and Jones, Jacob L. and Pottgen, Rainer and Andersson, Gunther G. and et al.}, year={2022}, month={Aug} }
 @article{gabilondo_o'donnell_newell_broughton_mateus_jones_maggard_2022, title={Renaissance of Topotactic Ion-Exchange for Functional Solids with Close Packed Structures}, volume={4}, ISSN={["1521-3765"]}, DOI={10.1002/chem.202200479}, abstractNote={Abstract Recently, many new, complex, functional oxides have been discovered with the surprising use of topotactic ion‐exchange reactions on close‐packed structures, such as found for wurtzite, rutile, perovskite, and other structure types. Despite a lack of apparent cation‐diffusion pathways in these structure types, synthetic low‐temperature transformations are possible with the interdiffusion and exchange of functional cations possessing ns 2 stereoactive lone pairs (e. g., Sn(II)) or unpaired nd x electrons (e. g., Co(II)), targeting new and favorable modulations of their electronic, magnetic, or catalytic properties. This enables a synergistic blending of new functionality to an underlying three‐dimensional connectivity, i. e., [‐M−O‐M‐O‐] n , that is maintained during the transformation. In many cases, this tactic represents the only known pathway to prepare thermodynamically unstable solids that otherwise would commonly decompose by phase segregation, such as that recently applied to the discovery of many new small bandgap semiconductors.}, journal={CHEMISTRY-A EUROPEAN JOURNAL}, author={Gabilondo, Eric and O'Donnell, Shaun and Newell, Ryan and Broughton, Rachel and Mateus, Marcelo and Jones, Jacob L. and Maggard, Paul A.}, year={2022}, month={Apr} }
 @article{hsain_lee_lancaster_materano_alcala_xu_mikolajick_schroeder_parsons_jones_2022, title={Role of Oxygen Source on Buried Interfaces in Atomic-Layer- Deposited Ferroelectric Hafnia-Zirconia Thin Films}, volume={9}, ISSN={["1944-8252"]}, url={https://doi.org/10.1021/acsami.2c11073}, DOI={10.1021/acsami.2c11073}, abstractNote={Hafnia-zirconia (HfO2-ZrO2) solid solution thin films have emerged as viable candidates for electronic applications due to their compatibility with Si technology and demonstrated ferroelectricity at the nanoscale. The oxygen source in atomic layer deposition (ALD) plays a crucial role in determining the impurity concentration and phase composition of HfO2-ZrO2 within metal-ferroelectric-metal devices, notably at the Hf0.5Zr0.5O2 /TiN interface. The interface characteristics of HZO/TiN are fabricated via sequential no-atmosphere processing (SNAP) with either H2O or O2-plasma to study the influence of oxygen source on buried interfaces. Time-of-flight secondary ion mass spectrometry reveals that HZO films grown via O2-plasma promote the development of an interfacial TiOx layer at the bottom HZO/TiN interface. The presence of the TiOx layer leads to the development of 111-fiber texture in HZO as confirmed by two-dimensional X-ray diffraction (2D-XRD). Structural and chemical differences between HZO films grown via H2O or O2-plasma were found to strongly affect electrical characteristics such as permittivity, leakage current density, endurance, and switching kinetics. While HZO films grown via H2O yielded a higher remanent polarization value of 25 μC/cm2, HZO films grown via O2-plasma exhibited a comparable Pr of 21 μC/cm2 polarization and enhanced field cycling endurance limit by almost 2 orders of magnitude. Our study illustrates how oxygen sources (O2-plasma or H2O) in ALD can be a viable way to engineer the interface and properties in HZO thin films.}, journal={ACS APPLIED MATERIALS & INTERFACES}, author={Hsain, Hanan Alexandra and Lee, Younghwan and Lancaster, Suzanne and Materano, Monica and Alcala, Ruben and Xu, Bohan and Mikolajick, Thomas and Schroeder, Uwe and Parsons, Gregory N. and Jones, Jacob L.}, year={2022}, month={Sep} }
 @article{hsain_lee_lancaster_materano_alcala_xu_mikolajick_schroeder_parsons_jones_2022, title={Role of Oxygen Source on Buried Interfaces in Atomic-Layer- Deposited Ferroelectric Hafnia-Zirconia Thin Films}, volume={14}, ISSN={["1944-8252"]}, DOI={10.1021/acsami.2c1107342232}, number={37}, journal={ACS APPLIED MATERIALS & INTERFACES}, author={Hsain, Hanan Alexandra and Lee, Younghwan and Lancaster, Suzanne and Materano, Monica and Alcala, Ruben and Xu, Bohan and Mikolajick, Thomas and Schroeder, Uwe and Parsons, Gregory N. and Jones, Jacob L.}, year={2022}, month={Sep}, pages={42232–42244} }
 @article{wohninsland_fetzer_broughton_jones_lalitha_2022, title={Structural and microstructural description of relaxor-ferroelectric transition in quenched Na1/2Bi1/2TiO3-BaTiO3}, volume={8}, ISSN={["2352-8478"]}, DOI={10.1016/j.jmat.2022.01.006}, abstractNote={Quenching lead-free Na1/2Bi1/2TiO3-based ceramics from sintering temperature is established to increase the depolarization temperature, Td and the lattice distortion. In situ synchrotron X-ray diffraction measurements were carried out on furnace cooled and quenched Na1/2Bi1/2TiO3 - BaTiO3 (NBT-BT) with 6 and 9 mol. % BT to discern the field-induced ferroelectric order. Phase fractions were determined from full pattern Rietveld refinements and utilized together with the change in unit cell volume to calculate volumetric strain resulting from phase transformations. NBT-6BT demonstrates a cubic symmetry in the furnace cooled state but quenching stabilizes the rhombohedral R3c phase and delays the formation of a field-induced, long range-ordered tetragonal phase, thereby shifting the onset of macroscopic strain to higher fields. A field-induced phase transition from a weakly distorted rhombohedral to tetragonal phase can be observed in furnace cooled NBT-9BT. However, this phase transition cannot be detected in quenched NBT-9BT, since the ferroelectric tetragonal P4mm phase is stabilized in the initial state. In contrast to the furnace cooled materials, both the quenched compositions exhibit overall negligible volumetric strain as a function of electric field. Furthermore, scanning electron micrographs of chemically etched, poled and unpoled samples reveal an increased lamellar domain contrast in the quenched materials. All these findings strengthen the hypothesis of a stabilized ferroelectric order resulting in the absence of a field-induced phase transformation in quenched NBT-BT.}, number={4}, journal={JOURNAL OF MATERIOMICS}, author={Wohninsland, Andreas and Fetzer, Ann-Katrin and Broughton, Rachel and Jones, Jacob L. and Lalitha, K. V.}, year={2022}, month={Jul}, pages={823–832} }
 @article{jiang_zhao_metz_jothi_kavey_reven_lindner-d'addario_jones_caruntu_page_2022, title={Temperature dependent local structure coherence of surface-modified BaTiO3 nanocubes}, ISSN={["2050-7534"]}, DOI={10.1039/d2tc00477a}, abstractNote={BaTiO 3 nanocubes capped by polar tetrafluoroborate (BF 4 − ) ligands are shown to have enhanced ferroelectric order and undergo sharper ferroelectric to paraelectric phase transitions relative to nanocubes capped with nonpolar oleic acid (OA) ligands.}, journal={JOURNAL OF MATERIALS CHEMISTRY C}, author={Jiang, Bo and Zhao, Changhao and Metz, Peter C. and Jothi, Palani Raja and Kavey, Benard and Reven, Linda and Lindner-D'Addario, Michael and Jones, Jacob L. and Caruntu, Gabriel and Page, Katharine}, year={2022}, month={Apr} }
 @article{schroeder_mittmann_materano_lomenzo_edgington_lee_alotaibi_west_mikolajick_kersch_et al._2022, title={Temperature-Dependent Phase Transitions in HfxZr1-xO2 Mixed Oxides: Indications of a Proper Ferroelectric Material}, ISSN={["2199-160X"]}, DOI={10.1002/aelm.202200265}, abstractNote={Knowledge about phase transitions in doped HfO2 and ZrO2‐based films is crucial for developing future ferroelectric devices. These devices should perform in ambient temperature ranges with no degradation of device performance. Here, the phase transition from the polar orthorhombic to the nonpolar tetragonal phase in thin films is of significant interest. Detailed electrical and structural characterization is performed on 10 nm mixed HfxZr1‐xO2 binary oxides with different ZrO2 in HfO2 and small changes in oxygen content. Both dopant and oxygen content directly impact the phase transition temperature between the polar and nonpolar phase. A first‐order phase transition with thermal hysteresis is observed from the nonpolar to the polar phase with a maximum in the dielectric constant. The observed phase transition temperatures confirm trends as obtained by DFT calculations. Based on the outcome of the measurements, the classification of the ferroelectric material is discussed.}, journal={ADVANCED ELECTRONIC MATERIALS}, author={Schroeder, Uwe and Mittmann, Terence and Materano, Monica and Lomenzo, Patrick D. and Edgington, Patrick and Lee, Young H. and Alotaibi, Meshari and West, Anthony R. and Mikolajick, Thomas and Kersch, Alfred and et al.}, year={2022}, month={May} }
 @article{lee_broughton_hsain_song_edgington_horgan_dowden_bednar_lee_parsons_et al._2022, title={The influence of crystallographic texture on structural and electrical properties in ferroelectric Hf0.5Zr0.5O2}, volume={132}, ISSN={["1089-7550"]}, url={https://doi.org/10.1063/5.0128038}, DOI={10.1063/5.0128038}, abstractNote={Ferroelectric (Hf,Zr)O2 thin films have attracted increased interest from the ferroelectrics community and the semiconductor industry due to their ability to exhibit ferroelectricity at nanoscale dimensions. The properties and performance of the ferroelectric (Hf,Zr)O2 films generally depend on various factors such as surface energy (e.g., through grain size or thickness), defects (e.g., through dopants, oxygen vacancies, or impurities), electrodes, interface quality, and preferred crystallographic orientation (also known as crystallographic texture or simply texture) of grains and/or domains. Although some factors affecting properties and performance have been studied extensively, the effects of texture on the material properties are still not understood. Here, the influence of texture of the bottom electrode and Hf0.5Zr0.5O2 (HZO) films on properties and performance is reported. The uniqueness of this work is the use of a consistent deposition process known as Sequential, No-Atmosphere Processing (SNAP) that produces films with different preferred orientations yet minimal other differences. The results shown in this study provide both new insight on the importance of the bottom electrode texture and new fundamental processing-structure–property relationships for the HZO films.}, number={24}, journal={JOURNAL OF APPLIED PHYSICS}, author={Lee, Younghwan and Broughton, Rachel A. and Hsain, H. Alex and Song, Seung Keun and Edgington, Patrick G. and Horgan, Madison D. and Dowden, Amy and Bednar, Amanda and Lee, Dong Hyun and Parsons, Gregory N. and et al.}, year={2022}, month={Dec} }
 @article{payne_alex hsain_lee_strnad_jones_hanrahan_2022, title={Thermal stability of antiferroelectric-like Al:HfO2 thin films with TiN or Pt electrodes}, volume={120}, ISSN={["1077-3118"]}, DOI={10.1063/5.0083656}, abstractNote={HfO2-based antiferroelectric-like thin films are increasingly being considered for commercial devices. However, even with initial promise, the temperature sensitivity of electrical properties such as loss tangent and leakage current remains unreported. 50 nm thick, 4 at. % Al-doped HfO2 thin films were synthesized via atomic layer deposition with both top and bottom electrodes being TiN or Pt. A study of their capacitance vs temperature showed that the Pt/Al:HfO2/Pt had a relative dielectric permittivity of 23.30 ± 0.06 at room temperature with a temperature coefficient of capacitance (TCC) of 78 ± 86 ppm/°C, while the TiN/Al:HfO2/TiN had a relative dielectric permittivity of 32.28 ± 0.14 at room temperature with a TCC of 322 ± 41 ppm/°C. The capacitance of both devices varied less than 6% over 1 to 1000 kHz from −125 to 125 °C. Both capacitors maintained loss tangents under 0.03 and leakage current densities of 10−9–10−7 A/cm2 between −125 and 125 °C. The TiN/Al:HfO2/TiN capacitor maintained an energy storage density (ESD) of 18.17 ± 0.79 J/cm3 at an efficiency of 51.79% ± 2.75% over the −125 to 125 °C range. The Pt/Al:HfO2/Pt capacitor also maintained a stable ESD of 9.83 ± 0.26 J/cm3 with an efficiency of 62.87% ± 3.00% over the same temperature range. Such low losses in both capacitors along with their thermal stability make antiferroelectric-like, Al-doped HfO2 thin films a promising material for temperature-stable microelectronics.}, number={23}, journal={APPLIED PHYSICS LETTERS}, author={Payne, Alexis and Alex Hsain, H. and Lee, Younghwan and Strnad, Nicholas A. and Jones, Jacob L. and Hanrahan, Brendan}, year={2022}, month={Jun} }
 @article{akurati_jansson_jones_ghosh_2021, title={Deformation mechanisms in ice-templated alumina-epoxy composites for the different directions of uniaxial compressive loading}, volume={16}, ISSN={["2589-1529"]}, DOI={10.1016/j.mtla.2021.101054}, abstractNote={The ice-templating technique enables the fabrication of multilayered ceramic-based composite materials. Very little is known on the inelastic deformation mechanisms that evolve in this class of composite materials under compressive loading conditions and cause macroscopic failure. The current investigation is motivated by a recent study by the authors, which revealed that the uniaxial compressive response of ice-templated ceramic–polymer composites is strongly dependent on the loading direction relative to the layer orientation. The current investigation reveals that the inelastic deformation mechanisms in ice-templated alumina–epoxy composites are strongly influenced by the compressive loading orientation relative to the growth direction of ice crystals. The deformation mechanisms were investigated for the loading directions of 0° (parallel to the growth direction), 45° (to the growth direction), and 90° (to the growth direction). For 0°, kink band formation and longitudinal splitting were observed to be the primary strength limiting mechanisms. Kink band formation could be the primary strength limiting factor and responsible for the catastrophic-type compressive failure response. For the loading directions of 45° and 90°, interface delamination and fracture within the lamella walls and across the alumina–epoxy interfaces were the main deformation mechanisms. These mechanisms significantly reduced the compressive strength but attributed progressive-type failure behavior in ice-templated composites. The knowledge of the inelastic deformation mechanisms in ice-templated ceramic–polymer composites under compressive loading is vital for an improved understanding of structure–mechanical property relationships and hierarchical materials design.}, journal={MATERIALIA}, author={Akurati, Sashanka and Jansson, Anton and Jones, Jacob L. and Ghosh, Dipankar}, year={2021}, month={May} }
 @misc{lee_lee_yang_park_kim_reddy_materano_mulaosmanovic_mikolajick_jones_et al._2021, title={Domains and domain dynamics in fluorite-structured ferroelectrics}, volume={8}, ISSN={["1931-9401"]}, DOI={10.1063/5.0047977}, abstractNote={Ferroelectricity in fluorite-structured ferroelectrics such as HfO2 and ZrO2 has been attracting increasing interest since its first publication in 2011. Fluorite-structured ferroelectrics are considered to be promising for semiconductor devices because of their compatibility with the complementary metal–oxide–semiconductor technology and scalability for highly dense information storage. The research on fluorite-structured ferroelectrics during the first decade of their conceptualization has been mainly focused on elucidating the origin of their ferroelectricity and improving the performance of electronic devices based on such ferroelectrics. Furthermore, as is known, to achieve optimal performance, the emerging biomimicking electronic devices as well as conventional semiconductor devices based on the classical von Neumann architecture require high operating speed, sufficient reliability, and multilevel data storage. Nanoscale electronic devices with fluorite-structured ferroelectrics serve as candidates for these device systems and, thus, have been intensively studied primarily because in ferroelectric materials the switching speed, reliability, and multilevel polarizability are known to be strongly correlated with the domains and domain dynamics. Although there have been important theoretical and experimental studies related to domains and domain dynamics in fluorite-structured ferroelectrics, they are yet to be comprehensively reviewed. Therefore, to provide a strong foundation for research in this field, herein, domains, domain dynamics, and emerging applications, particularly in neuromorphic computing, of fluorite-structured ferroelectrics are comprehensively reviewed based on the existing literature.}, number={2}, journal={APPLIED PHYSICS REVIEWS}, author={Lee, Dong Hyun and Lee, Younghwan and Yang, Kun and Park, Ju Yong and Kim, Se Hyun and Reddy, Pothala Reddi Sekhar and Materano, Monica and Mulaosmanovic, Halid and Mikolajick, Thomas and Jones, Jacob L. and et al.}, year={2021}, month={Jun} }
 @article{shekhawat_hsain_lee_jones_moghaddam_2021, title={Effect of ferroelectric and interface films on the tunneling electroresistance of the Al2O3/Hf0.5Zr0.5O2 based ferroelectric tunnel junctions}, volume={32}, ISSN={["1361-6528"]}, DOI={10.1088/1361-6528/ac1ebe}, abstractNote={Ferroelectric random-access memory (FRAM) based on conventional ferroelectric materials is a non-volatile memory with fast read/write operations, high endurance, and 10 years of data retention time. However, it suffers from destructive read-out operation and lack of CMOS compatibility. HfO2-based ferroelectric tunnel junctions (FTJ) may compensate for the shortcomings of FRAM by its CMOS compatibility, fast operation speed, and non-destructive readout operation. In this study, we investigate the effect of ferroelectric and interface film thickness on the tunneling electroresistance or ON/OFF current ratio of the Hf0.5Zr0.5O2/Al2O3 based FTJ device. Integrating a thick ferroelectric layer (i.e. 12 nm Hf0.5Zr0.5O2) with a thin interface layer (i.e. 1 nm Al2O3) resulted in an ON/OFF current ratio of 78. Furthermore, to elucidate the relationship between ON/OFF current ratio and interfacial properties, the Hf0.5Zr0.5O2-Al2O3 films and Ge-Al2O3 interfaces are examined via time-of-flight secondary ion mass spectrometry depth profiling mode. A bilayer oxide heterostructure (Hf0.5Zr0.5O2/Al2O3) is deposited by atomic layer deposition (ALD) on the Ge substrate. The ON/OFF current ratio is enhanced by an order of magnitude when the Hf0.5Zr0.5O2 film deposition mode is changed from exposure (H2O) ALD to sequential plasma (sequential O2–H2) ALD. Moreover, the interfacial engineering approach based on the in situ ALD H2-plasma surface pre-treatment of Ge increases the ON/OFF current ratio from 9 to 38 by reducing the interfacial trap density state at the Ge-Al2O3 interface and producing Al2O3 with fewer oxygen vacancies as compared to the wet etch (HF + H2O rinse) treatment of the Ge substrate. This study provides evidence of strong coupling between Hf0.5Zr0.5O2 and Al2O3 films in controlling the ON/OFF current ratio of the FTJ.}, number={48}, journal={NANOTECHNOLOGY}, author={Shekhawat, Aniruddh and Hsain, H. Alex and Lee, Younghwan and Jones, Jacob L. and Moghaddam, Saeed}, year={2021}, month={Nov} }
 @article{shi_kumar_jones_hoffman_2021, title={Fracture and electric-field-induced crack growth behavior in NBT-6BT relaxor ferroelectrics}, volume={104}, ISSN={["1551-2916"]}, DOI={10.1111/jace.17625}, abstractNote={Abstract The fracture properties of 0.94(Na 0.5 Bi 0.5 )TiO 3 ‐0.06BaTiO 3 (NBT‐6BT) relaxor ferroelectrics were investigated using the Vickers indentation method and computation of crack tip opening displacement. It was found that an unpoled sample had a fracture toughness of around 1.35 MPa m 1/2 . In contrast, an electrically poled sample exhibited anisotropy with a lower fracture toughness perpendicular to the poling direction and a higher value in the parallel direction, as compared to the unpoled sample. Upon cyclic electrical loading (with applied electric field amplitudes between 0.73 E C and 1.4 E C ), the indented surface crack was found to propagate. In general, the crack grew rapidly during the initial cycles followed by crack arrest, and the principal driving force for crack growth was proposed to be residual stress around the indentation, as evidenced by the limited field dependence of crack growth. There was also a contribution from the electromechanical strain, which played a role at high cycles (>100 cycles) and high fields (>1.3 E C ). Evidence of a saturation threshold of crack propagation is an advantage for the electromechanical reliability of relaxor ferroelectrics in devices.}, number={5}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Shi, Xi and Kumar, Nitish and Jones, Jacob L. and Hoffman, Mark}, year={2021}, month={May}, pages={2158–2169} }
 @article{zboray_efimenko_jones_genzer_2021, title={Functional Gels Containing Hydroxamic Acid Degrade Organophosphates in Aqueous Solutions}, volume={60}, ISSN={["0888-5885"]}, DOI={10.1021/acs.iecr.1c01374}, abstractNote={We synthesized poly(maleic anhydride-co-methyl vinyl ether) (PMAMVE) gels and functionalized them to form hydroxamic acid functional groups. We evaluated the performance of the gels in decomposing dimethyl nitrophenyl phosphate (DMNP). We monitored organophosphate degradation kinetics as a function of gel chemical composition, cross-linking density, and solution pH and applied Thiele modulus analysis to determine the importance of transport phenomena related to the particulate gel size. The decomposition of DMNP in the maleic anhydride gels followed pseudo-first-order kinetics for all studied conditions. The performance was influenced by the spatial confinement of the hydroxamic acid groups inside the gel. The gels made of PMAMVE copolymers modified with hydroxamic acid offer a robust new system with high degradation efficiency, scalability, and preparation simplicity.}, number={24}, journal={INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH}, author={Zboray, Steven and Efimenko, Kirill and Jones, Jacob L. and Genzer, Jan}, year={2021}, month={Jun}, pages={8799–8811} }
 @article{nelson_cuchiara_hendren_jones_marshall_2021, title={Hazardous Spills at Retired Fertilizer Manufacturing Plants Will Continue to Occur in the Absence of Scientific Innovation and Regulatory Enforcement}, volume={55}, ISSN={["1520-5851"]}, url={https://doi.org/10.1021/acs.est.1c05311}, DOI={10.1021/acs.est.1c05311}, abstractNote={ADVERTISEMENT RETURN TO ISSUEViewpointNEXTHazardous Spills at Retired Fertilizer Manufacturing Plants Will Continue to Occur in the Absence of Scientific Innovation and Regulatory EnforcementNatalie G. Nelson*Natalie G. NelsonBiological and Agricultural Engineering, North Carolina State University, Raleigh 27695, North Carolina, United StatesCenter for Geospatial Analytics, North Carolina State University, Raleigh 27695, North Carolina, United States*Phone: 919-515-6741; email: [email protected]More by Natalie G. NelsonView Biographyhttps://orcid.org/0000-0002-3258-7622, Maude L. CuchiaraMaude L. CuchiaraMaterials Science and Engineering, North Carolina State University, Raleigh 27695, North Carolina, United StatesMore by Maude L. Cuchiarahttps://orcid.org/0000-0001-8493-6620, Christine Ogilvie HendrenChristine Ogilvie HendrenResearch Institute for Environment, Energy and Economics, Appalachian State University, Boone 28608-2067, North Carolina, United StatesGeological and Environmental Science, Appalachian State University, Boone 28608-2067, North Carolina, United StatesMore by Christine Ogilvie Hendrenhttps://orcid.org/0000-0002-9546-6545, Jacob L. JonesJacob L. JonesMaterials Science and Engineering, North Carolina State University, Raleigh 27695, North Carolina, United StatesMore by Jacob L. Joneshttps://orcid.org/0000-0002-9182-0957, and Anna-Maria MarshallAnna-Maria MarshallSociology, University of Illinois Urbana−Champaign, Urbana 61801, United StatesMore by Anna-Maria MarshallCite this: Environ. Sci. Technol. 2021, 55, 24, 16267–16269Publication Date (Web):November 29, 2021Publication History Received6 August 2021Published online29 November 2021Published inissue 21 December 2021https://doi.org/10.1021/acs.est.1c05311Copyright © 2021 The Authors. Published by American Chemical SocietyRIGHTS & PERMISSIONSACS AuthorChoiceCC: Creative CommonsBY: Credit must be given to the creatorArticle Views1225Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (2 MB) Get e-AlertsSUBJECTS:Separation science,Wastewater,Phosphorus,Byproducts,Manufacturing Get e-Alerts}, number={24}, journal={ENVIRONMENTAL SCIENCE & TECHNOLOGY}, publisher={American Chemical Society (ACS)}, author={Nelson, Natalie G. and Cuchiara, Maude L. and Hendren, Christine Ogilvie and Jones, Jacob L. and Marshall, Anna-Maria}, year={2021}, month={Dec}, pages={16267–16269} }
 @article{mittmann_szyjka_alex_istrate_lomenzo_baumgarten_mueller_jones_pintilie_mikolajick_et al._2021, title={Impact of Iridium Oxide Electrodes on the Ferroelectric Phase of Thin Hf0.5Zr0.5O2 Films}, volume={15}, ISSN={["1862-6270"]}, DOI={10.1002/pssr.202100012}, abstractNote={Thin film metal–ferroelectric–metal capacitors with an equal mixture of hafnium oxide and zirconium oxide as the ferroelectric material are fabricated using iridium oxide as the electrode material. The influence of the oxygen concentration in the electrodes during crystallization anneal on the ferroelectric properties is characterized by electrical, chemical, and structural methods. Forming gas, O2, and N2 annealing atmospheres significantly change the ferroelectric performance. The use of oxygen‐deficient electrodes improves the stabilization of the ferroelectric orthorhombic phase and reduces the wake‐up effect. It is found that oxygen‐rich electrodes supply oxygen during anneal and reduce the amount of oxygen vacancies, but the nonferroelectric monoclinic phase is stabilized with a negative impact on the ferroelectric properties.}, number={5}, journal={PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS}, author={Mittmann, Terence and Szyjka, Thomas and Alex, Hsain and Istrate, Marian Cosmin and Lomenzo, Patrick D. and Baumgarten, Lutz and Mueller, Martina and Jones, Jacob L. and Pintilie, Lucian and Mikolajick, Thomas and et al.}, year={2021}, month={May} }
 @article{zhi_call_grieger_duckworth_jones_knappe_2021, title={Influence of natural organic matter and pH on phosphate removal by and filterable lanthanum release from lanthanum-modified bentonite}, volume={202}, ISSN={0043-1354}, url={http://dx.doi.org/10.1016/j.watres.2021.117399}, DOI={10.1016/j.watres.2021.117399}, abstractNote={Lanthanum modified bentonite (LMB) has been applied to eutrophic lakes to reduce phosphorus (P) concentrations in the water column and mitigate P release from sediments. Previous experiments suggest that natural organic matter (NOM) can interfere with phosphate (PO4)-binding to LMB and exacerbate lanthanum (La)-release from bentonite. This evidence served as motivation for this study to systematically determine the effects of NOM, solution pH, and bentonite as a La carrier on P removal. We conducted both geochemical modeling and controlled-laboratory batch kinetic experiments to understand the pH-dependent impacts of humic and fulvic acids on PO4-binding to LMB and La release from LMB. The role of bentonite was studied by comparing PO4 removal obtained by LMB and La3+ (added as LaCl3 salt to represent the La-containing component of LMB). Our results from both geochemical modeling and batch experiments indicate that the PO4-binding ability of LMB is decreased in the presence of NOM, and the decrease is more pronounced at pH 8.5 than at 6. At the highest evaluated NOM concentration (28 mg C L−1), PO4-removal by La3+ was substantially lower than that by LMB, implying that bentonite clay in LMB shielded La from interactions with NOM, while still allowing PO4 capture by La. Finally, the presence of NOM promoted La-release from LMB, and the amount of La released depended on solution pH and both the type (i.e., fulvic/humic acid ratio) and concentration of NOM. Overall, these results provide an important basis for management of P in lakes and eutrophication control that relies on LMB applications.}, journal={Water Research}, publisher={Elsevier BV}, author={Zhi, Yue and Call, Douglas F. and Grieger, Khara D. and Duckworth, Owen W. and Jones, Jacob L. and Knappe, Detlef R.U.}, year={2021}, month={Sep}, pages={117399} }
 @article{alcala_richter_materano_lomenzo_zhou_jones_mikolajick_schroeder_2021, title={Influence of oxygen source on the ferroelectric properties of ALD grown Hf1-xZrxO2 films}, volume={54}, ISSN={["1361-6463"]}, DOI={10.1088/1361-6463/abbc98}, abstractNote={Hafnium oxide (HfO2), zirconium oxide (ZrO2), and the solid-solution (Hf1-xZrxO2) system continue to be some of the most relevant ferroelectric materials, in particular, for their promising application in CMOS integrated ferroelectric memories. Recent understanding of the influence of oxygen supplied during film deposition on the structural phase formation process in Hf1-xZrxO2 films has drawn attention to a commonly overlooked parameter for tuning ferroelectric and electrical properties of these films. In this paper, a comparison of O3 and O2 plasma used as the oxygen source in an atomic layer deposition process for Hf1-xZrxO2 films within the full compositional range is discussed. A combination of structural and electrical characterization methods grant insight on the influence of each of the oxygen sources on the crystalline phase formation during deposition of Hf1-xZrxO2 films. These observations are then correlated to the material’s behavior regarding its ferroelectric and electrical properties; mainly, dielectric constant, ferroelectric remanent polarization, and number of electric field cycles to breakdown.}, number={3}, journal={JOURNAL OF PHYSICS D-APPLIED PHYSICS}, author={Alcala, Ruben and Richter, Claudia and Materano, Monica and Lomenzo, Patrick D. and Zhou, Chuanzhen and Jones, Jacob L. and Mikolajick, Thomas and Schroeder, Uwe}, year={2021}, month={Jan} }
 @article{zhao_funni_molina_dickey_jones_2021, title={Orientation-dependent, field-induced phase transitions in soft lead zirconate titanate piezoceramics}, volume={41}, ISSN={["1873-619X"]}, url={https://app.dimensions.ai/details/publication/pub.1134957541}, DOI={10.1016/j.jeurceramsoc.2021.01.043}, abstractNote={In situ high-energy X-ray diffraction (XRD) was performed on lead-zirconate-titanate-based ferroelectric materials with composition near the morphotropic phase boundary (MPB). The utilization of the two-dimensional area detector in in situ field-dependent experiments enables the complete analysis of the material response with respect to all azimuthal angles at each field amplitude. The studies reveal that the field-induced phase transition from tetragonal to rhombohedral is dependent on crystal orientation in Nb-doped PbZr0.53Ti0.47O3 that is in close compositional proximity to the MPB. However, only domain wall motion is activated in Nb-doped PbZr0.50Ti0.50O3, which is further in composition from the MPB. This synchrotron-based XRD characterization approach illustrates the importance in evaluating the orientation-dependence of phase transitions in piezoelectric and ferroelectric polycrystalline materials.}, number={6}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Zhao, Jianwei and Funni, Stephen D. and Molina, Emily R. and Dickey, Elizabeth C. and Jones, Jacob L.}, year={2021}, month={Jun}, pages={3357–3362} }
 @article{denis-rotella_esteves_walker_zhou_jones_trolier-mckinstry_2021, title={Residual Stress and Ferroelastic Domain Reorientation in Declamped {001} Pb(Zr0.3Ti0.7)O-3 Films}, volume={68}, ISSN={["1525-8955"]}, DOI={10.1109/TUFFC.2020.2987438}, abstractNote={Ferroelectric films are often constrained by their substrates and subject to scaling effects, including suppressed dielectric permittivity. In this work, the thickness dependence of intrinsic and extrinsic contributions to the dielectric properties was elucidated. A novel approach to quantitatively deconstruct the relative permittivity into three contributions (intrinsic, reversible extrinsic, and irreversible extrinsic) was developed using a combination of X-ray diffraction (XRD) and Rayleigh analysis. <italic>In situ</italic> synchrotron XRD was used to understand the influence of residual stress and substrate clamping on the domain state, ferroelastic domain reorientation, and electric field-induced strain. For tetragonal {001} textured Pb<sub>0.99</sub>(Zr<sub>0.3</sub>Ti<sub>0.7</sub>)<sub>0.98</sub>Nb<sub>0.02</sub>O<sub>3</sub> thin films clamped to an Si substrate, a thickness-dependent in-plane tensile stress developed during processing, which dictates the domain distribution over a thickness range of 0.27–<inline-formula> <tex-math notation="LaTeX">$1.11~\mu \text{m}$ </tex-math></inline-formula>. However, after the films were partially declamped from the substrate and annealed, the residual stress was alleviated. As a result, the thickness dependence of the volume fraction of <inline-formula> <tex-math notation="LaTeX">${c}$ </tex-math></inline-formula>-domains largely disappeared, and the out-of-plane lattice spacings (<inline-formula> <tex-math notation="LaTeX">${d}$ </tex-math></inline-formula>) for both <inline-formula> <tex-math notation="LaTeX">${a}$ </tex-math></inline-formula>- and <inline-formula> <tex-math notation="LaTeX">${c}$ </tex-math></inline-formula>-domains increased. The volume fraction of <inline-formula> <tex-math notation="LaTeX">${c}$ </tex-math></inline-formula>-domains was used to calculate the intrinsic relative permittivity. The reversible Rayleigh coefficient was then used to separate the intrinsic and reversible extrinsic contributions. The reversible extrinsic response accounted for ~50% of the overall relative permittivity (measured at 50 Hz and alternating current (ac) field of <inline-formula> <tex-math notation="LaTeX">$0.5\cdot {E}_{c}$ </tex-math></inline-formula>) and was thickness dependent even after poling and upon release.}, number={2}, journal={IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL}, author={Denis-Rotella, Lyndsey M. and Esteves, Giovanni and Walker, Julian and Zhou, Hanhan and Jones, Jacob L. and Trolier-McKinstry, Susan}, year={2021}, month={Feb}, pages={259–272} }
 @article{dolgos_jones_malic_gibbons_kato_2021, title={Special Issue on the Contributions of Women in Ferroelectrics Research and Development}, volume={68}, ISBN={1525-8955}, DOI={10.1109/TUFFC.2020.3046815}, abstractNote={Statistics worldwide show that women remain underrepresented in science, technology, engineering, and mathematics (STEM)-related fields relative to the total population. In the IEEE Ultrasonics, Ferroelectrics, and Frequency Control Society (UFFC Society), members who identify as women remain below 10% of the total society members, suggesting that their underrepresentation persists in ferroelectrics research and development activities as well. Addressing this issue and shifting this gender imbalance will require multiple approaches and actions. The Guest Editors, as persistent volunteers and participants in UFFC Society administration and activities, proposed this Special Issue on the Contributions of Women in Ferroelectrics Research and Development as one of many initiatives to further promote diversity, equity, and inclusion in science, engineering, and the UFFC Society.}, number={2}, journal={IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL}, author={Dolgos, Michelle and Jones, Jacob L. and Malic, Barbara and Gibbons, Brady and Kato, Kazumi}, year={2021}, month={Feb}, pages={215–216} }
 @article{gabilondo_o'donnell_broughton_jones_maggard_2021, title={Synthesis and stability of Sn(II)-containing perovskites: (Ba,Sn-II)(HfO3)-O-IV versus (Ba,Sn-II)(SnO3)-O-IV}, volume={302}, ISSN={["1095-726X"]}, DOI={10.1016/j.jssc.2021.122419}, abstractNote={While Sn(II)-containing perovskite oxides have long drawn attention as Pb(II) substitutes in technologically-relevant dielectric materials, they are also highly thermodynamically unstable and potentially impossible to prepare. Investigations into the new flux-mediated syntheses of metastable Sn(II)-containing hafnate and stannate perovskites were aimed at understanding the key factors related to their synthesizability. The BaHfO3 perovskite was reacted with SnClF from 250 to 350 ​°C for 12–72 ​h, yielding an unprecedented Sn(II) concentration on the A-site of up to ~70 ​mol%, i.e., (Ba0.3Sn0.7)HfO3 in high purity. Elemental mapping using EDS shows the Sn(II) cations diffuse gradually throughout the crystallites, with two reaction cycles needed to give a nearly homogeneous distribution. In contrast, similar reactions with BaSnO3 and as little as 10 ​mol% Sn(II) result in decomposition to SnO, SnO2, and BaSnO3. The (Ba1-xSnx)HfO3 compositions exhibit a primary cubic perovskite structure (Pm3¯m; for x ​= ​1/3, 1/2 and 2/3) by powder X-ray diffraction (XRD) methods, with the Sn(II) cations substituted on the A-site. Total energy calculations show the thermodynamic instability versus the ground state (i.e., metastability) for (Ba1-xSnx)HfO3 increases with Sn(II) substitution, reaching a maximum of ~446 ​meV atom−1 at ~70 ​mol% Sn(II). The decomposition pathway of (Ba1/3Sn2/3)HfO3 was probed by ex situ XRD as well as in situ electron microscopy methods. An onset of thermally-induced decomposition begins at ~350–400 ​°C to give the more stable oxides which are found to segregate out in surface layers. These results help to elucidate the factors underpinning the synthesizability of highly metastable Sn(II)-containing perovskites, which increases with their cohesive energy and with the absence of lower-energy polymorphs or other ground states that can be reached without significant ion diffusion.}, journal={JOURNAL OF SOLID STATE CHEMISTRY}, author={Gabilondo, Eric A. and O'Donnell, Shaun and Broughton, Rachel and Jones, Jacob L. and Maggard, Paul A.}, year={2021}, month={Oct} }
 @article{thong_payne_li_cheng_jones_wang_2021, title={The origin of chemical inhomogeneity in lead-free potassium sodium niobate ceramic: Competitive chemical reaction during solid-state synthesis}, volume={211}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2021.116833}, abstractNote={Excellent electromechanical properties have been reported in lead-free potassium sodium niobate (KNN)-based piezoelectric ceramics over the past 15 years. However, poor reproducibility of the electromechanical properties of KNN has been a major barrier to industrial development, due to a lack of full understanding of some of the processing aspects. Chemical inhomogeneity is one of the most critical challenges in processing, as the properties of KNN-based ceramics are strongly composition-dependent. In the present study, in-situ temperature-dependent X-ray diffraction and thermogravimetric analysis were employed to investigate the chemical reactions that occur during solid-state synthesis. Chemical homogeneity was found to be sensitive to the competition among reactants during synthesis. The phenomenon can reasonably explain the chemical inhomogeneity in KNN and possibly other lead-free piezoelectric ceramic systems prepared via solid-state synthesis.}, journal={ACTA MATERIALIA}, author={Thong, Hao-Cheng and Payne, Alexis and Li, Jia-Wang and Cheng, Yue-Yu-Shan and Jones, Jacob L. and Wang, Ke}, year={2021}, month={Jun} }
 @article{whitaker_austin_holden_jones_michel_peak_thompson_duckworth_2021, title={The structure of natural biogenic iron (oxyhydr)oxides formed in circumneutral pH environments}, volume={308}, ISSN={["1872-9533"]}, DOI={10.1016/j.gca.2021.05.059}, abstractNote={Biogenic iron (Fe) (oxyhydr)oxides (BIOS) partially control the cycling of organic matter, nutrients, and pollutants in soils and water via sorption and redox reactions. Although recent studies have shown that the structure of BIOS resembles that of two-line ferrihydrite (2LFh), we lack detailed knowledge of the BIOS local coordination environment and structure required to understand the drivers of BIOS reactivity in redox active environments. Therefore, we used a combination of microscopy, scattering, and spectroscopic methods to elucidate the structure of BIOS sampled from a groundwater seep in North Carolina and compare them to 2LFh. We also simulated the effects of wet-dry cycles by varying sample preparation (e.g., freezing, flash freezing with freeze drying, freezing with freeze drying and oven drying). In general, the results show that both the long- and short-range ordering in BIOS are structurally distinct and notably more disordered than 2LFh. Our structure analysis, which utilized Fe K-edge X-ray absorption spectroscopy, Mössbauer spectroscopy, X-ray diffraction, and pair distribution function analyses, showed that the BIOS samples were more poorly ordered than 2LFh and intimately mixed with organic matter. Furthermore, pair distribution function analyses resulted in coherent scattering domains for the BIOS samples ranging from 12-18 Å, smaller than those of 2LFh (21-27 Å), consistent with reduced ordering. Additionally, Fe L-edge XAS indicated that the local coordination environment of 2LFh samples consisted of minor amounts of tetrahedral Fe(III), whereas BIOS were dominated by octahedral Fe(III), consistent with depletion of the sites due to small domain size and incorporation of impurities (e.g., organic C, Al, Si, P). Within sample sets, the frozen freeze dried and oven dried sample preparation increased the crystallinity of the 2LFh samples when compared to the frozen treatment, whereas the BIOS samples remained more poorly crystalline under all sample preparations. This research shows that BIOS formed in circumneutral pH waters are poorly ordered and more environmentally stable than 2LFh.}, journal={GEOCHIMICA ET COSMOCHIMICA ACTA}, author={Whitaker, Andrew H. and Austin, Robert E. and Holden, Kathryn L. and Jones, Jacob L. and Michel, F. Marc and Peak, Derek and Thompson, Aaron and Duckworth, Owen W.}, year={2021}, month={Sep}, pages={237–255} }
 @article{lee_hsain_fields_jaszewski_horgan_edgington_ihlefeld_parsons_jones_2021, title={Unexpectedly large remanent polarization of Hf0.5Zr0.5O2 metal-ferroelectric-metal capacitor fabricated without breaking vacuum}, volume={118}, ISSN={["1077-3118"]}, url={https://doi.org/10.1063/5.0029532}, DOI={10.1063/5.0029532}, abstractNote={We introduce an Atomic Layer Deposition (ALD) technique referred to here as Sequential, No-Atmosphere Processing (SNAP) to fabricate ferroelectric Hf0.5Zr0.5O2 capacitors in Metal–Ferroelectric–Metal (MFM) structures. SNAP involves the ALD of each layer sequentially while maintaining the sample under vacuum process conditions without ambient exposure during the entire sequential deposition processes. We first use plasma enhanced ALD to fabricate 002-textured TiN films and study the degree of texture and quality of the film by X-ray Diffraction (XRD), Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS), and transmission electron microscopy. Building upon the textured TiN film, we fabricate MFM capacitors with 10-nm-thick Hf0.5Zr0.5O2 via SNAP deposition and observe an unexpectedly large remanent polarization (2Pr = 54.2 μC/cm2). We report that annealing at T <800 °C and at T = 800 °C results in different ferroelectric behaviors and phases determined by grazing incidence XRD patterns. We infer that the nonpolar tetragonal phase is dominant in films treated at T <800 °C, whereas the polar orthorhombic phase is dominant in films treated at T = 800 °C. Using ToF-SIMS and x-ray spectroscopy depth profiling on MFM capacitors, we observe an increase in the concentration of defects in the Hf0.5Zr0.5O2 layer after annealing. We believe that the absence of the native passive layer between Hf0.5Zr0.5O2 and TiN layers made via SNAP deposition is responsible for the unexpectedly large remanent polarization. In addition, we associate the 002-textured TiN as potentially playing a role in realizing the unexpectedly large remanent polarization.}, number={1}, journal={APPLIED PHYSICS LETTERS}, author={Lee, Younghwan and Hsain, H. Alex and Fields, Shelby S. and Jaszewski, Samantha T. and Horgan, Madison D. and Edgington, Patrick G. and Ihlefeld, Jon F. and Parsons, Gregory N. and Jones, Jacob L.}, year={2021}, month={Jan} }
 @article{park_yang_lee_kim_lee_reddy_jones_park_2020, title={A perspective on semiconductor devices based on fluorite-structured ferroelectrics from the materials-device integration perspective}, volume={128}, ISSN={["1089-7550"]}, DOI={10.1063/5.0035542}, abstractNote={Ferroelectric materials are known to be ideal materials for nonvolatile memory devices, owing to their two electrically switchable spontaneous polarization states. However, difficulties in scaling down devices with ferroelectric materials have hindered their practical applications and research. The discovery of ferroelectricity in fluorite-structured ferroelectrics has revived research on semiconductor devices based on ferroelectrics. With their scalability and established fabrication techniques, the performance of nanoscale electronic devices with fluorite-structured ferroelectrics is being rapidly developed. However, the fundamental physics behind the superior ferroelectricity is yet to be elucidated. From this Perspective, the status of research on fluorite-structured ferroelectrics and state-of-the-art semiconductor devices based on them are comprehensively reviewed. In particular, the fundamental physics of fluorite-structured oxides is critically reviewed based on a newly developed theory as well as on the classical theory on ferroelectrics. A perspective on the establishment of emerging semiconductor devices based on fluorite-structured ferroelectrics is provided from the viewpoint of materials science and engineering.}, number={24}, journal={JOURNAL OF APPLIED PHYSICS}, author={Park, Ju Yong and Yang, Kun and Lee, Dong Hyun and Kim, Se Hyun and Lee, Younghwan and Reddy, P. R. Sekhar and Jones, Jacob L. and Park, Min Hyuk}, year={2020}, month={Dec} }
 @article{hsain_lee_parsons_jones_2020, title={Compositional dependence of crystallization temperatures and phase evolution in hafnia-zirconia (HfxZr1-x)O-2 thin films}, volume={116}, ISSN={["1077-3118"]}, url={https://doi.org/10.1063/5.0002835}, DOI={10.1063/5.0002835}, abstractNote={Polymorphic (HfxZr1−x)O2 (HZO) thin films exhibit ferroelectric, dielectric, and antiferroelectric properties across a wide compositional range due to the existence of orthorhombic, monoclinic, and tetragonal phases. To better understand the phase stability across the HfO2–ZrO2 compositional range, we investigate the structural evolution of HZO thin films in situ via high-temperature x-ray diffraction (HTXRD) for five different compositions [ZrO2, (Hf0.23Zr0.77)O2, (Hf0.43Zr0.57)O2, (Hf0.67Zr0.33)O2, and HfO2]. The real-time monitoring of HZO crystallization reveals a competing driving force between the tetragonal and monoclinic phase stabilities for HfO2-rich vs ZrO2-rich compositions. Additionally, we confirm an XRD peak shift toward lower 2θ with increasing temperature in ZrO2, (Hf0.23Zr0.77)O2, and (Hf0.43Zr0.57)O2 films, which we ascribe to the appearance of a metastable orthorhombic phase during heating. A monotonic trend for the onset crystallization temperature is reported for five compositions of HZO and reveals an increase in onset crystallization temperature for HfO2-rich compositions. Relative intensity fraction calculations suggest a higher fraction of monoclinic phase with increasing annealing temperature for (Hf0.67Zr0.33)O2. This study of phase stability and onset crystallization temperatures offers insight for managing the thermal budget for HZO thin films, especially for temperature-constrained processing.}, number={19}, journal={APPLIED PHYSICS LETTERS}, author={Hsain, H. Alex and Lee, Younghwan and Parsons, Gregory N. and Jones, Jacob L.}, year={2020}, month={May} }
 @article{otonicar_bradesko_fulanovic_kos_ursic_bencan_cabral_henriques_jones_riemer_et al._2020, title={Connecting the Multiscale Structure with Macroscopic Response of Relaxor Ferroelectrics}, volume={30}, ISSN={["1616-3028"]}, DOI={10.1002/adfm.202006823}, abstractNote={Lead‐based relaxor ferroelectrics are characterized by outstanding piezoelectric and dielectric properties, making them useful in a wide range of applications. Despite the numerous models proposed to describe the relation between their nanoscale polar structure and the large properties, the multiple contributions to these properties are not yet revealed. Here, by combining atomistic and mesoscopic‐scale structural analyses with macroscopic piezoelectric and dielectric measurements across the (100–x)Pb(Mg1/3Nb2/3)O3–xPbTiO3 (PMN–xPT) phase diagram, a direct link is established between the multiscale structure and the large nonlinear macroscopic response observed in the monoclinic PMN‐xPT compositions. The approach reveals a previously unrecognized softening effect, which is common to Pb‐based relaxor ferroelectrics and arises from the displacements of low‐angle nanodomain walls, facilitated by the nanoscale polar character and lattice strain disorder. This comprehensive comparative study points to the multiple, distinct mechanisms that are responsible for the large piezoelectric response in relaxor ferroelectrics.}, number={52}, journal={ADVANCED FUNCTIONAL MATERIALS}, author={Otonicar, Mojca and Bradesko, Andraz and Fulanovic, Lovro and Kos, Tomaz and Ursic, Hana and Bencan, Andreja and Cabral, Matthew J. and Henriques, Alexandra and Jones, Jacob L. and Riemer, Lukas and et al.}, year={2020}, month={Dec} }
 @article{park_han_hou_jones_oh_ahn_lee_lee_mhin_2020, title={Crystal structures and electrical properties of cobalt manganese spinel oxides}, volume={25}, ISBN={2352-4928}, DOI={10.1016/j.mtcomm.2020.101298}, abstractNote={Crystal structures and hopping motions of cobalt manganese spinel oxides across a wide composition range (CoxMn3−xO4 (CMO), 0.9 ≤ x ≤ 2.7) are investigated in order to clarify the corresponding mechanisms of electrical behaviors as negative temperature coefficient thermistors. Based on the diffraction measurements, a tetragonal to cubic spinel transition are observed mostly with increasing Co content. Hopping distance for a series of CMO are calculated by the variable range hopping mechanism, which is changed as a function of composition, resulting to the observed unique electrical properties. According to the electrical and structural analysis, the electrical properties of CMO compounds with different Co contents majorly determined by tetragonal to cubic phase transition, cation distribution, and hopping distance. In addition, the formation of secondary phase (i.e., CoO) and another CMO phase may also significantly affect the electrical properties.}, journal={MATERIALS TODAY COMMUNICATIONS}, author={Park, Kyoung Ryeol and Han, HyukSu and Hou, Dong and Jones, Jacob L. and Oh, Nuri and Ahn, Chisung and Lee, Jaewoong and Lee, Seung Hwan and Mhin, Sungwook}, year={2020}, month={Dec} }
 @article{payne_brewer_leff_strnad_jones_hanrahan_2020, title={Dielectric, energy storage, and loss study of antiferroelectric-like Al-doped HfO2 thin films}, volume={117}, ISSN={["1077-3118"]}, DOI={10.1063/5.0029706}, abstractNote={Antiferroelectric thin films have properties ideal for energy storage due to their lower losses compared to their ferroelectric counterparts as well as their robust endurance properties. We fabricated Al-doped HfO2 antiferroelectric thin films via atomic layer deposition at variable thicknesses (20 nm or 50 nm) with varying dopant concentrations (4 at. % or 8 at. %). 50 nm thick 8 at. % Al-doped HfO2 showed a maximum energy storage density of 63 J/cm3 while maintaining an efficiency of 85%. A study comparing these thin films revealed thicker films allowed for higher operating electric fields and thus higher energy storage densities at operating voltage. The loss tangents of the thin films at operating voltage were under 2% over the range of −4 to 4 MV/cm and at frequencies ranging from 500 Hz to 100 kHz. Reliability studies showed the thin films endure up to 106–107 cycles and the breakdown field of the films yielded Weibull moduli greater than 6 for all our thin films. The Weibull modulus provides a measurement of the consistency of the breakdown strength from sample to sample, with higher moduli indicating a more invariable result. These electrical characteristics along with the thin film's cycling endurance and reliability make antiferroelectric-like Al-doped thin films a promising material for energy storage applications.}, number={22}, journal={APPLIED PHYSICS LETTERS}, author={Payne, Alexis and Brewer, Owen and Leff, Asher and Strnad, Nicholas A. and Jones, Jacob L. and Hanrahan, Brendan}, year={2020}, month={Nov} }
 @article{shekhawat_walters_chung_garcia_liu_jones_nishida_moghaddam_2020, title={Effect of Forming Gas Furnace Annealing on the Ferroelectricity and Wake-Up Effect of Hf0.5Zr0.5O2 Thin Films}, volume={9}, ISSN={["2162-8777"]}, DOI={10.1149/2162-8777/ab6b13}, abstractNote={The effect of furnace annealing on the ferroelectricity, leakage current, and wake-up effect in Hf0.5Zr0.5O2 (HZO) ultrathin film is studied as a function of furnace annealing temperature and gas environment after crystallizing the films with rapid thermal annealing in the presence of a TiN capping electrode. HZO films are deposited using atomic layer deposition in a Ge-HZO-TiN stack with Pt as the top contact electrode. The increment in the remanent polarization (Pr) is higher when the films are furnace annealed in the forming gas ambient. Forming gas furnace annealed films show an order of magnitude less leakage current as compared to the nitrogen annealed films. Dynamic hysteresis current measurements of the HZO ultrathin films show a faster merging of the four switching peaks after cycling the virgin forming gas furnace annealed films. H-incorporation during forming gas furnace annealing does not degrade the ferroelectric properties of HZO ultrathin films unlike conventional ferroelectrics, such as PZT or SBT. Higher Pr, lower leakage current, and an improved wake-up effect of the HZO ultrathin films show its resistance to degradation by forming gas furnace annealing, which makes ferroelectric HfO2 an ideal material for next-generation ferroelectric memory devices.}, number={2}, journal={ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY}, author={Shekhawat, Aniruddh and Walters, Glen and Chung, Ching-Chang and Garcia, Roberto and Liu, Yang and Jones, Jacob and Nishida, Toshikazu and Moghaddam, Saeed}, year={2020}, month={Jan} }
 @article{fancher_choe_gorfman_simons_chung_ziolkowski_prasertpalichat_cann_jones_2020, title={Effect of alloying BaTiO3 with BiZn1/2Ti1/2O3 on polarization reversal}, volume={117}, ISSN={["1077-3118"]}, DOI={10.1063/5.0013410}, abstractNote={Changes in the polarization state of ferroelectric materials are mediated through the motion of planar defects such as domain walls. The interplay between the two processes that enable the inversion of the macroscopic polarization in ferroelectric materials, non-180° (domain reorientation) and 180° (domain reversal), is not well understood. In this work, time-resolved x-ray diffraction was carried out during the application of an external electric field to investigate the dynamic electric-field response mechanisms of BaTiO3 (BT) and BiZn1/2Ti1/2O3(BZT)-modified BT (0.94BT-0.06BZT). These data evidence that the incorporation of BZT into BT fundamentally alters what processes are activated to reorient the polarization by 180°. Polarization reversal in BT is achieved through direct inversion of spontaneous dipoles. However, the addition of BZT into BT promotes a two-step polarization reversal process (i.e., two consecutive non-180° reorientation events).}, number={4}, journal={APPLIED PHYSICS LETTERS}, author={Fancher, C. M. and Choe, H. and Gorfman, S. and Simons, H. and Chung, C. C. and Ziolkowski, M. and Prasertpalichat, S. and Cann, D. P. and Jones, J. L.}, year={2020}, month={Jul} }
 @article{walters_shekhawat_moghaddam_jones_nishida_2020, title={Effect of in situ hydrogen plasma on the ferroelectricity of hafnium zirconium oxide films}, volume={116}, ISSN={["1077-3118"]}, DOI={10.1063/1.5135709}, abstractNote={The emerging field of ferroelectric hafnium zirconium oxide has garnered increased attention recently for its wide array of applications from nonvolatile memory and transistor devices to nanoelectromechanical transducers. Atomic layer deposition is one of the preferred techniques for the fabrication of hafnium zirconium oxide thin films, with a standard choice of oxidizer being either O3 or H2O. In this study, we explore various oxidizing conditions and report on the in situ treatment of hydrogen plasma after every atomic layer during the deposition of hafnium zirconium oxide to increase the virgin state polarization. Three different oxidization methods were utilized during the fabrication of the Hf0.5Zr0.5O2 films: H2O, O2 plasma, and O2 plasma followed by H2 plasma. The 10 and 8 nm thick films oxidized with only O2 plasma result in initially anti-ferroelectric films. Comparatively, the addition of H2 plasma after every O2 plasma step results in films with strong ferroelectric behavior. Peak shifting of the GIXRD pattern suggests that the sequential O2-H2 plasma films tend more to the orthorhombic phase as compared to the O2 plasma and H2O oxidized films.}, number={3}, journal={APPLIED PHYSICS LETTERS}, author={Walters, Glen and Shekhawat, Aniruddh and Moghaddam, Saeed and Jones, Jacob L. and Nishida, Toshikazu}, year={2020}, month={Jan} }
 @misc{zhi_zhang_hjorth_baun_duckworth_call_knappe_jones_grieger_2020, title={Emerging lanthanum (III)-containing materials for phosphate removal from water: A review towards future developments}, volume={145}, ISSN={["1873-6750"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-85090951095&partnerID=MN8TOARS}, DOI={10.1016/j.envint.2020.106115}, abstractNote={The last two decades have seen a rise in the development of lanthanum (III)-containing materials (LM) for controlling phosphate in the aquatic environment. >70 papers have been published on this topic in the peer-reviewed literature, but mechanisms of phosphate removal by LM as well as potential environmental impacts of LM remain unclear. In this review, we summarize peer-reviewed scientific articles on the development and use of 80 different types of LM in terms of prospective benefits, potential ecological impacts, and research needs. We find that the main benefits of LM for phosphate removal are their ability to strongly bind phosphate under diverse environmental conditions (e.g., over a wide pH range, in the presence of diverse aqueous constituents). The maximum phosphate uptake capacity of LM correlates primarily with the La content of LM, whereas reaction kinetics are influenced by LM formulation and ambient environmental conditions (e.g., pH, presence of co-existing ions, ligands, organic matter). Increased La solubilization can occur under some environmental conditions, including at moderately acidic pH values (i.e., < 4.5–5.6), highly saline conditions, and in the presence of organic matter. At the same time, dissolved La will likely undergo hydrolysis, bind to organic matter, and combine with phosphate to precipitate rhabdophane (LaPO4·H2O), all of which reduce the bioavailability of La in aquatic environments. Overall, LM use presents a low risk of adverse effects in water with pH > 7 and moderate-to-high bicarbonate alkalinity, although caution should be applied when considering LM use in aquatic systems with acidic pH values and low bicarbonate alkalinity. Moving forward, we recommend additional research dedicated to understanding La release from LM under diverse environmental conditions as well as long-term exposures on ecological organisms, particularly primary producers and benthic organisms. Further, site-specific monitoring could be useful for evaluating potential impacts of LM on both biotic and abiotic systems post-application.}, journal={ENVIRONMENT INTERNATIONAL}, author={Zhi, Yue and Zhang, Chuhui and Hjorth, Rune and Baun, Anders and Duckworth, Owen W. and Call, Douglas F. and Knappe, Detlef R. U. and Jones, Jacob L. and Grieger, Khara}, year={2020}, month={Dec} }
 @article{soliman_elhassanny_malur_mcpeek_bell_leffler_van dross_jones_malur_thomassen_2020, title={Impaired mitochondrial function of alveolar macrophages in carbon nanotube-induced chronic pulmonary granulomatous disease}, volume={445}, ISSN={["0300-483X"]}, DOI={10.1016/j.tox.2020.152598}, abstractNote={Human exposure to carbon nanotubes (CNT) has been associated with the development of pulmonary sarcoid-like granulomatous disease. Our previous studies demonstrated that multi-walled carbon nanotubes (MWCNT) induced chronic pulmonary granulomatous inflammation in mice. Granuloma formation was accompanied by decreased peroxisome proliferator-activated receptor gamma (PPARγ) and disrupted intracellular lipid homeostasis in alveolar macrophages. Others have shown that PPARγ activation increases mitochondrial fatty acid oxidation (FAO) to reduce free fatty acid accumulation. Hence, we hypothesized that the disrupted lipid metabolism suppresses mitochondrial FAO. To test our hypothesis, C57BL/6 J mice were instilled by an oropharyngeal route with 100 μg MWCNT freshly suspended in 35 % Infasurf. Control sham mice received vehicle alone. Sixty days following instillation, mitochondrial FAO was measured in permeabilized bronchoalveolar lavage (BAL) cells. MWCNT instillation reduced the mitochondrial oxygen consumption rate of BAL cells in the presence of palmitoyl-carnitine as mitochondrial fuel. MWCNT also reduced mRNA expression of mitochondrial genes regulating FAO, carnitine palmitoyl transferase-1 (CPT1), carnitine palmitoyl transferase-2 (CPT2), hydroxyacyl-CoA dehydrogenase subunit beta (HADHB), and PPARγ coactivator 1 alpha (PPARGC1A). Importantly, both oxidative stress and apoptosis in alveolar macrophages and lung tissues of MWCNT-instilled mice were increased. Because macrophage PPARγ expression has been reported to be controlled by miR-27b which is known to induce oxidative stress and apoptosis, we measured the expression of miR-27b. Results indicated elevated levels in alveolar macrophages from MWCNT-instilled mice compared to controls. Given that inhibition of FAO and apoptosis are linked to M1 and M2 macrophage activation, respectively, the expression of both M1 and M2 key indicator genes were measured. Interestingly, results showed that both M1 and M2 phenotypes of alveolar macrophages were activated in MWCNT-instilled mice. In conclusion, alveolar macrophages of MWCNT-instilled mice had increased miR-27b expression, which may reduce the expression of PPARγ resulting in attenuation of FAO. This reduction in FAO may lead to activation of M1 macrophages. The upregulation of miR-27b may also induce apoptosis, which in turn can cause M2 activation of alveolar macrophages. These observations indicate a possible role of miR-27b in impaired mitochondrial function in the chronic activation of alveolar macrophages by MWCNT and the development of chronic pulmonary granulomatous inflammation.}, journal={TOXICOLOGY}, author={Soliman, Eman and Elhassanny, Ahmed E. M. and Malur, Anagha and McPeek, Matthew and Bell, Aaron and Leffler, Nancy and Van Dross, Rukiyah and Jones, Jacob L. and Malur, Achut G. and Thomassen, Mary Jane}, year={2020}, month={Dec} }
 @article{materano_mittmann_lomenzo_zhou_jones_falkowski_kersch_mikolajick_schroeder_2020, title={Influence of Oxygen Content on the Structure and Reliability of Ferroelectric HfxZr1-xO2 Layers}, volume={2}, ISSN={["2637-6113"]}, DOI={10.1021/acsaelm.0c00680}, abstractNote={Although some years have passed since the discovery of the ferroelectric phase in HfO2 and ZrO2 and their solid solution system HfxZr1–xO2, the details of the emergence of this phase are still unde...}, number={11}, journal={ACS APPLIED ELECTRONIC MATERIALS}, author={Materano, Monica and Mittmann, Terence and Lomenzo, Patrick D. and Zhou, Chuanzhen and Jones, Jacob L. and Falkowski, Max and Kersch, Alfred and Mikolajick, Thomas and Schroeder, Uwe}, year={2020}, month={Nov}, pages={3618–3626} }
 @article{jones_yingling_reaney_westerhoff_2020, title={Materials matter in phosphorus sustainability}, volume={45}, ISSN={["1938-1425"]}, DOI={10.1557/mrs.2020.4}, abstractNote={T year marks the 350th anniversary of the discovery of phosphorus by German alchemist Hennig Brandt.1 As element 15 in the periodic table, phosphorus is known to researchers for its luminescent and reactive characteristics in elemental form, as a dopant in semiconductors, as a key constituent in nerve agents and industrial detergents,2 and, most recently, in its two-dimensional (2D) form, phosphorene (a black phosphorus allotrope). However, its role in biology and agriculture has more foundational implications for society.3 It is part of the backbone of DNA. Because of its central role in biological energy transfer processes, phosphorus is also an essential component in fertilizers underpinning the productivity of global food systems, enabling society to sustain Earth’s growing population. Unfortunately, myriad cross-disciplinary challenges pervade the life cycle of phosphorus, from its sources and availability to its application and disposal or reuse.4,5 The challenges around the phosphorus life cycle are so complex that they have been termed a “wicked problem”;6,7 the problems are intractable, contested, and plagued by a high degree of uncertainty. These can be more deeply appreciated by noting that challenges in the phosphorus life cycle span 17 orders of magnitude in length scale—from the atomic scale of elemental phosphorus and the orthophosphate ion to farms and farmers, phosphate mines, and lakes to global economics and public policy (see Figure 1).8,9 These length scales involve diverse stakeholders with sometimes competing priorities.}, number={1}, journal={MRS BULLETIN}, author={Jones, Jacob L. and Yingling, Yaroslava G. and Reaney, Ian M. and Westerhoff, Paul}, year={2020}, month={Jan}, pages={7–10} }
 @article{pramanick_paterson_denis_abbas_niu_ren_zhao_dai_borkiewicz_ren_et al._2020, title={Oxygen octahedral tilt ordering in (Na1/2Bi1/2)TiO3 ferroelectric thin films}, volume={116}, ISSN={["1077-3118"]}, DOI={10.1063/1.5127212}, abstractNote={Oxygen octahedra tilt (OOT) transition is the most common type of distortion in inorganic ABO3 compounds with a perovskite crystal structure. The importance of OOT transitions is underlined by accompanying changes in the B-O and A-O bonding environments, which consequently affects the electronic states and hence influences electrical, magnetic, and superconducting properties of many perovskite compounds. In recent years, controlled manipulation of the OOT order in perovskite thin film ferroelectrics has been attempted through heteroepitaxial strain engineering. The current study demonstrates an alternative approach whereby OOT ordering in a 200 nm thick polycrystalline thin film of (Na1/2Bi1/2)TiO3 (NBT) Pb-free ferroelectric is induced by applying electric-field along the 111 octahedral tilt axis, which is furthermore enabled by a strong (111) crystallographic texture normal to the film surface. In situ x-ray diffraction reveals that electric-field-induced OOT ordering proceeds through nucleation and rapid growth of domains with ordered a−a−a− tilting, followed by an increase in the tilt angle within the ordered domains.}, number={2}, journal={APPLIED PHYSICS LETTERS}, author={Pramanick, A. and Paterson, A. R. and Denis, L. and Abbas, W. and Niu, G. and Ren, W. and Zhao, J. and Dai, L. and Borkiewicz, O. and Ren, Y. and et al.}, year={2020}, month={Jan} }
 @article{batra_tran_johnson_zoellner_maggard_jones_rossetti_ramprasad_2020, title={Search for Ferroelectric Binary Oxides: Chemical and Structural Space Exploration Guided by Group Theory and Computations}, volume={32}, ISSN={["1520-5002"]}, DOI={10.1021/acs.chemmater.9b05324}, abstractNote={The presence of bistable polarization states along with accessible switching capabilities lend ferroelectrics as the ideal candidates for a variety of applications. Although many conventional ferro...}, number={9}, journal={CHEMISTRY OF MATERIALS}, author={Batra, Rohit and Tran, Huan Doan and Johnson, Brienne and Zoellner, Brandon and Maggard, Paul A. and Jones, Jacob L. and Rossetti, George A., Jr Jr and Ramprasad, Rampi}, year={2020}, month={May}, pages={3823–3832} }
 @article{berube_bogomoletc_eng_jones_jokerst_2020, title={Social science and infrastructure networks and the human-technology interface}, volume={22}, ISSN={["1572-896X"]}, url={https://doi.org/10.1007/s11051-020-05022-2}, DOI={10.1007/s11051-020-05022-2}, number={9}, journal={JOURNAL OF NANOPARTICLE RESEARCH}, publisher={Springer Science and Business Media LLC}, author={Berube, D. M. and Bogomoletc, E. and Eng, N. and Jones, J. L. and Jokerst, N.}, year={2020}, month={Sep} }
 @article{prah_dragomir_rojac_bencan_broughton_chung_jones_sherbondy_brennecka_ursic_2020, title={Strengthened relaxor behavior in (1-x)Pb(Fe0.5Nb0.5)O-3-xBiFeO(3)}, volume={8}, ISSN={["2050-7534"]}, DOI={10.1039/c9tc05883d}, abstractNote={A systematic study of (1−x)Pb(Fe0.5Nb0.5)O3–xBiFeO3 (x = 0–0.5) was performed in order to investigate the strengthening of the relaxor properties when adding BiFeO3 into Pb(Fe0.5Nb0.5)O3 and forming a solid solution.}, number={10}, journal={JOURNAL OF MATERIALS CHEMISTRY C}, author={Prah, Uros and Dragomir, Mirela and Rojac, Tadej and Bencan, Andreja and Broughton, Rachel and Chung, Ching-Chang and Jones, Jacob L. and Sherbondy, Rachel and Brennecka, Geoff and Ursic, Hana}, year={2020}, month={Mar}, pages={3452–3462} }
 @article{cho_uddin_chung_podowitz-thomas_jones_2020, title={Understanding the lithium deficient LixNiyMnzCo1-y-zO2 (x < 1) cathode materials structure (vol 228, pg 32, 2019)}, volume={242}, ISSN={["1879-3312"]}, DOI={10.1016/j.matchemphys.2019.122413}, journal={MATERIALS CHEMISTRY AND PHYSICS}, author={Cho, Sung-Jin and Uddin, Md-Jamal and Chung, Ching-Chang and Podowitz-Thomas, Stephen and Jones, Jacob L.}, year={2020}, month={Feb} }
 @article{matavz_bencan_kovac_chung_jones_trolier-mckinstry_malic_bobnar_2019, title={Additive Manufacturing of Ferroelectric-Oxide Thin-Film Multilayer Devices}, volume={11}, ISSN={["1944-8252"]}, DOI={10.1021/acsami.9b17912}, abstractNote={Additive manufacturing has dramatically transformed the design and fabrication of advanced objects. Recent advances in printing technology have led to several innovative applications; however, layer-on-layer deposition persists as a challenging issue. Here the additive manufacturing of functional-oxide devices by inkjet printing is presented. Two conditions appear critical for successful layer-on-layer printing: (i) preservation of stable surface properties, and (ii) suppression of the material accumulation at the edges of a feature upon drying. The former condition was satisfied by introducing a surface-modification layer of a polymer with a nano-textured topography, and the latter by designing the solvent composition of the ink. The developed process is highly efficient and enables conformal stacking of functional-oxide layers according to the user-defined geometry, sequence arrangement and layer thickness. To prove the effectiveness of this concept, an additive manufacture of all-oxide ferroelectric multilayer capacitors/transducers was demonstrated. Printed multi-layer devices offer a significant increase in the capacitance density and the electromechanical voltage response in comparison to the single-layer devices. Further growth in the number of available functional-oxide inks will enable arbitrary device architectures with novel functionalities.}, number={48}, journal={ACS APPLIED MATERIALS & INTERFACES}, author={Matavz, Aleksander and Bencan, Andreja and Kovac, Janez and Chung, Ching-Chang and Jones, Jacob L. and Trolier-McKinstry, Susan and Malic, Barbara and Bobnar, Vid}, year={2019}, month={Dec}, pages={45155–45160} }
 @article{strader_lee_teska_li_jones_2019, title={Approaches for Characterizing Surfaces Damaged by Disinfection in Healthcare}, volume={9}, ISSN={["1793-9852"]}, DOI={10.1142/S1793984419500028}, abstractNote={Healthcare-Associated Infections (HAIs) are a significant cause of morbidity and mortality and occur in many healthcare facilities including hospitals, surgery centers and long-term care facilities...}, number={4}, journal={NANO LIFE}, author={Strader, Phillip and Lee, Younghwan and Teska, Peter and Li, Xiaobao and Jones, Jacob L.}, year={2019}, month={Dec} }
 @article{grieger_jones_hansen_hendren_jensen_kuzma_baun_2019, title={Best practices from nano-risk analysis relevant for other emerging technologies}, volume={14}, ISSN={1748-3387 1748-3395}, url={http://dx.doi.org/10.1038/s41565-019-0572-1}, DOI={10.1038/s41565-019-0572-1}, abstractNote={The experiences gained from the past 15 years of nanomaterial risk analysis may be useful for the risk analysis efforts of other emerging technologies.}, number={11}, journal={Nature Nanotechnology}, publisher={Springer Science and Business Media LLC}, author={Grieger, Khara and Jones, Jacob L. and Hansen, Steffen Foss and Hendren, Christine Ogilvie and Jensen, Keld Alstrup and Kuzma, Jennifer and Baun, Anders}, year={2019}, month={Nov}, pages={998–1001} }
 @article{khazaee_sardashti_chung_sun_zhou_bergmann_dunlap-shohl_han_hill_jones_et al._2019, title={Dual-source evaporation of silver bismuth iodide films for planar junction solar cells}, volume={7}, ISSN={2050-7488 2050-7496}, url={http://dx.doi.org/10.1039/C8TA08679F}, DOI={10.1039/C8TA08679F}, abstractNote={Dual-source evaporation approach is applied to deposit AgBi2I7, AgBiI4 and Ag2BiI5 films; a planar junction AgBiI4-solar cell is demonstrated.}, number={5}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Khazaee, Maryam and Sardashti, Kasra and Chung, Ching-Chang and Sun, Jon-Paul and Zhou, Hanhan and Bergmann, Eric and Dunlap-Shohl, Wiley A. and Han, Qiwei and Hill, Ian G. and Jones, Jacob L. and et al.}, year={2019}, pages={2095–2105} }
 @article{maruyama_baure_jones_nikkel_moharam_craciun_mihai_pantelica_jones_nino_2019, title={Effect of Pt3Pb on the permittivity and conductivity of lead zirconate titanate thin films}, volume={685}, ISSN={["0040-6090"]}, DOI={10.1016/j.tsf.2019.06.041}, abstractNote={The evolution and interaction of buried interfaces during the synthesis of lead zirconate titanate (PZT) ferroelectric thin film devices have been previously predicted by density functional theory modeling and observed experimentally via in–situ structural characterization. Moreover, the formation and disappearance of an intermetallic phase (Pt3Pb) during the crystallization of the film has been identified as a key process expected to affect the resulting electrical properties of the devices. To elucidate this effect, a combination of direct current (leakage current measurements) and alternating current (impedance spectroscopy) characterization techniques are used to examine the electrical properties of sol–gel–derived PZT thin films. Films with the intermetallic phase exhibit a high potential barrier at the metal–insulator interface (0.83 eV) similar to the fully crystallized films (0.81 eV) and a lower current density than the films without the intermetallic phase, as shown in the Richardson plot. Impedance measurements also revealed that the conductivity of the films with the intermetallic phase, σ = 1.9 × 10−11 S cm−1, and the real part of the relative permittivity at 10 kHz, εr′=42, are lower than the other films (fully crystallized film: σ = 3.5 × 10−10 S cm−1 εr′=566, amorphous crystallized film: σ = 4.6 × 10−11 S cm−1 εr′=121). It is shown that these electrical characterization methods can serve as non–destructive examination tools to track the evolution of secondary phases during device synthesis and fabrication.}, journal={THIN SOLID FILMS}, author={Maruyama, Hiraku and Baure, George and Jones, Tarielle and Nikkel, Jason and Moharam, Marwa Mostafa and Craciun, Valentin and Mihai, Maria-Diana and Pantelica, Dan and Jones, Jacob L. and Nino, Juan C.}, year={2019}, month={Sep}, pages={420–427} }
 @article{shekhawat_walters_chung_garcia_liu_jones_nishida_moghaddam_2019, title={Effect of furnace annealing on the ferroelectricity of Hf0.5 Zr0.5O2 thin films}, volume={677}, ISSN={["0040-6090"]}, DOI={10.1016/j.tsf.2019.03.031}, abstractNote={The effect of furnace annealing on the ferroelectricity and crystal phase of Hf0.5ZrO2 (HZO) ultrathin films is studied as a function of film thickness. HZO films are deposited using atomic layer deposition (ALD) in a Ge-HZO-TiN stack with Pt as the top contact electrode. Furnace annealing is carried out after crystallizing the films with rapid thermal annealing in the presence of a TiN capping electrode. While furnace annealing did not have much impact on the 108 ALD cycles (~11 nm) film, it enhanced the ferroelectricity of the 44 ALD cycles film (~4.5 nm). Positive-up-negative-down tests provide evidence of ferroelectricity in the 40 ALD cycles (~4 nm) furnace annealed film after cycling the film at higher fields. Grazing incidence X-ray diffraction shows that the non-centrosymmetric orthorhombic phase responsible for ferroelectricity increased after furnace annealing in thinner films, but little change occurred in the 108 ALD cycles film that was rich in orthorhombic phase prior to furnace annealing. An analysis of the HZO films with a tapping mode atomic force microscope shows grain growth in the 44, and 40 ALD cycles films after furnace annealing.}, journal={THIN SOLID FILMS}, author={Shekhawat, Aniruddh and Walters, Glen and Chung, Ching-Chang and Garcia, Roberto and Liu, Yang and Jones, Jacob and Nishida, Toshikazu and Moghaddam, Saeed}, year={2019}, month={May}, pages={142–149} }
 @article{luo_wan_chang_yamashita_paterson_jones_jiang_2019, title={Effect of low-frequency alternating current poling on 5-mm-thick 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) single crystals}, volume={115}, ISSN={["1077-3118"]}, DOI={10.1063/1.5127292}, abstractNote={Alternating current (electric field) poling (ACP) was applied on [001]-oriented 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-0.3PT) single crystal samples with dimensions of 5 × 1.25 × 1.25 mm3 (with electrodes on the 1.25 × 1.25 mm2 surfaces), and the influence of ACP frequency (fACP) was studied. Compared to those from traditional direct (electric field) poling samples, the piezoelectric coefficient (d33) and free dielectric constant (eT33/e0) of ACP samples could gain up to a 67% increase to 3200 pC/N and 10 500, respectively. The influence of fACP was studied on two main aspects: saturated properties and dynamic saturation process. In general, ACP samples with lower fACP had higher saturated d33, eT33/e0, and coupling factor k33, as well as lower dielectric loss and faster saturation speed. The ACP dynamics during the saturation process were studied by measuring the polarization-vs-electric field hysteresis loops (P-E loops). The P-E loops illustrated that the coercive field of ACP samples could be further tuned from 1.84 kV/cm to 3.03 kV/cm by changing fACP (0.1–10 Hz). This work demonstrated the enormous potential of ACP optimization in relaxor-PT single crystal-based low-frequency transducer applications.Alternating current (electric field) poling (ACP) was applied on [001]-oriented 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-0.3PT) single crystal samples with dimensions of 5 × 1.25 × 1.25 mm3 (with electrodes on the 1.25 × 1.25 mm2 surfaces), and the influence of ACP frequency (fACP) was studied. Compared to those from traditional direct (electric field) poling samples, the piezoelectric coefficient (d33) and free dielectric constant (eT33/e0) of ACP samples could gain up to a 67% increase to 3200 pC/N and 10 500, respectively. The influence of fACP was studied on two main aspects: saturated properties and dynamic saturation process. In general, ACP samples with lower fACP had higher saturated d33, eT33/e0, and coupling factor k33, as well as lower dielectric loss and faster saturation speed. The ACP dynamics during the saturation process were studied by measuring the polarization-vs-electric field hysteresis loops (P-E loops). The P-E loops illustrated that the coercive field of ACP samples could be further tune...}, number={19}, journal={APPLIED PHYSICS LETTERS}, author={Luo, Chengtao and Wan, Haotian and Chang, Wei-Yi and Yamashita, Yohachi and Paterson, Alisa R. and Jones, Jacob and Jiang, Xiaoning}, year={2019}, month={Nov} }
 @article{luo_wan_chang_yamashita_paterson_jones_jiang_2019, title={Effect of low-frequency alternating current poling on 5-mm-thick 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) single crystals (vol 115, 192904, 2019)}, volume={115}, ISSN={["1077-3118"]}, DOI={10.1063/1.5139662}, abstractNote={First Page}, number={26}, journal={APPLIED PHYSICS LETTERS}, author={Luo, Chengtao and Wan, Haotian and Chang, Wei-Yi and Yamashita, Yohachi and Paterson, Alisa R. and Jones, Jacob and Jiang, Xiaoning}, year={2019}, month={Dec} }
 @article{kumar_shi_jones_hoffman_2019, title={Electrical fatigue failure in (Na1/2Bi1/2)TiO3-BaTiO3 relaxor ceramics}, volume={102}, ISSN={["1551-2916"]}, DOI={10.1111/jace.16475}, abstractNote={Abstract Many devices containing ferroelectric ceramics are subjected to different loading conditions and cycles, and lack of adequate long‐term reliability studies is a major concern. Here, we explore a (Na 1/2 Bi 1/2 )TiO 3 –BaTiO 3 solid solution and study electrical fatigue as a function of amplitude, temperature, frequency, and static offset voltage ( dc bias). This is expected to act as a guide for other similar material systems. Empirical relationships to quantify the dependence of fatigue on these parameters are presented. With electric field amplitude ( E max ), the number of cycles to fatigue failure ( N fail ) varies as: E max × = C , where a and C are constants whose values are different when the field amplitude is below and above the coercive field. With changes in temperature, N fail exhibits an activated behavior and follows an Arrhenius relationship with an activation energy of 0.7 eV at an amplitude above the coercive field. In the absence of self‐heating, a power law relationship is observed between N fail and frequency of fatigue cycles at an amplitude above the coercive field. On applying a dc bias, N fail increases by an order of magnitude, an observation that is attributed to domain switching effects. A majority of the above‐mentioned effects have been explained in terms of the motion of domain walls under a given fatigue condition and their interaction with point defects.}, number={10}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Kumar, Nitish and Shi, Xi and Jones, Jacob and Hoffman, Mark}, year={2019}, month={Oct}, pages={5997–6007} }
 @article{bradesko_fulanovic_vrabelj_otonicar_ursic_henriques_chung_jones_malic_kutnjak_et al._2019, title={Electrocaloric fatigue of lead magnesium niobate mediated by an electric-field-induced phase transformation}, volume={169}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2019.03.017}, abstractNote={Electrocaloric fatigue, i.e., the degradation of the electrocaloric temperature change of an active material under continuous electric-field cycling, has not been addressed in detail so far, despite the elevated electric fields expected for EC cooling devices. Here, we investigate the electrocaloric fatigue mechanism of a prototype relaxor material, i.e., Pb(Mg1/3Nb2/3)O3, by directly measuring its temperature response under device-relevant electric-field conditions. We show that after a critical number of field cycles the temperature of the sample begins to increase dramatically, leading to a significant degradation of the cooling properties. The degradation of cooling properties is investigated using a combination of multiscale characterization techniques, revealing that the origin of the degradation is the increased grain boundary conductance caused by an unexpected electric-field-induced phase transformation to a ferroelectric phase. We further show that this transformation and thus the fatigue can be regulated by careful control of the temperature and electric-field conditions. By revealing a previously unexplored fatigue mechanism, this study provides the first guidelines for the integration of high-performance relaxors into cooling devices.}, journal={ACTA MATERIALIA}, author={Bradesko, Andraz and Fulanovic, Lovro and Vrabelj, Marko and Otonicar, Mojca and Ursic, Hana and Henriques, Alexandra and Chung, Ching-Chang and Jones, Jacob L. and Malic, Barbara and Kutnjak, Zdravko and et al.}, year={2019}, month={May}, pages={275–283} }
 @article{jakubczyk_mapp_chung_sansom_jones_dorey_2019, title={Enhancing thermoelectric properties of NaCo2O4 ceramics through Na pre-treatment induced nano-decoration}, volume={788}, ISSN={["1873-4669"]}, DOI={10.1016/j.jallcom.2019.02.199}, abstractNote={High quality NaCo2O4 thermoelectrics are challenging to process due to the volatile nature of Na, the slow densification kinetics, and degradation of NaCo2O4 above 900–950 °C leading to the formation of Na-poor second phases. Fine grained sol-gel derived powders have been used to enhance the densification kinetics while pre-treatment of the NaCo2O4 powder with NaOH, to provide a Na rich environment, has been shown to mitigate Na loss at elevated temperatures. While insufficient to compensate for Na loss at processing temperatures of 1000 °C and above, at lower temperatures it is able to enhance densification and facilitate the formation of complex crystal structures yielding low thermal conductivity (0.66 Wm−1K−1) coupled with high electrical conductivity (3.8 × 103 Sm−1) and a Seebeck coefficient of 34.9. The resultant room temperature power factor and ZT were 6.19 × 10−6 Wm−1K−2 and 0.0026, respectively.}, journal={JOURNAL OF ALLOYS AND COMPOUNDS}, author={Jakubczyk, E. M. and Mapp, A. and Chung, C. C. and Sansom, C. L. and Jones, J. L. and Dorey, R. A.}, year={2019}, month={Jun}, pages={91–101} }
 @article{zhao_xu_wei_han_zhai_zhang_qi_cui_jones_2019, title={Giant dielectric phenomenon of Ba0.5Sr0.5TiO3/CaCu3Ti4O12 multilayers due to interfacial polarization for capacitor applications}, volume={39}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2018.11.039}, abstractNote={Ba0.5Sr0.5TiO3/CaCu3Ti4O12 (BST/CCTO) multilayers with different stack sequences were deposited on LaNiO3(LNO)/SiO2/Si substrates by a sol-gel process. The dielectric properties of BST/CCTO multilayers are significantly affected by the deposition sequence, the layer thickness and the impurities, effects that are interpreted using the Maxwell-Wagner interfacial polarization model. Impurities are generated by elemental interdiffusion at the interfaces of BST/CCTO, and less at the interfaces of BST/LNO and CCTO/LNO. The dielectric permittivity of the CCTO/BST/LNO/SiO2/Si sample reaches 352,200 at 10 kHz, and stabilizes above 20,000 in the range of 100 kHz to 1 MHz. This work demonstrates an effective approach to enhance dielectric properties for film capacitor applications by constructing multilayers with specific deposition sequences and layer thicknesses.}, number={4}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Zhao, Lili and Xu, Ruoxin and Wei, Yuxing and Han, Xiao and Zhai, Chunxue and Zhang, Zhixiang and Qi, Xiaofei and Cui, Bin and Jones, Jacob L.}, year={2019}, month={Apr}, pages={1116–1121} }
 @article{schenk_anspoks_jonane_ignatans_johnson_jones_tallarida_marini_simonelli_hoenicke_et al._2019, title={Local structural investigation of hafnia-zirconia polymorphs in powders and thin films by X-ray absorption spectroscopy}, volume={180}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2019.09.003}, abstractNote={Despite increasing attention for the recently found ferro- and antiferroelectric properties, the polymorphism in hafnia- and zirconia-based thin films is still not sufficiently understood. In the present work, we show that it is important to have a good quality X-ray absorption spectrum to go beyond an analysis of the only the first coordination shell. Equally important is to analyze both EXAFS and XANES spectra in combination with theoretical modelling to distinguish the relevant phases even in bulk materials and to separate structural from chemical effects. As a first step toward the analysis of thin films, we start with the analysis of bulk references. After that, we successfully demonstrate an approach that allows us to extract high-quality spectra also for 20 nm thin films. Our analysis extends to the second coordination shell and includes effects created by chemical substitution of Hf with Zr to unambiguously discriminate the different polymorphs. The trends derived from X-ray absorption spectroscopy agree well with X-ray diffraction measurements. In this work we clearly identify a gradual transformation from monoclinic to tetragonal phase as the Zr content of the films increases. We separated structural effects from effects created by chemical disorder when ration of Hf:Zr is varied and found differences for the incorporation of the substitute atoms between powders and thin films, which we attribute to the different fabrication routes. This work opens the door for further in-depth structural studies to shine light into the chemistry and physics of these novel ferroelectric thin films that show high application relevance.}, journal={ACTA MATERIALIA}, author={Schenk, Tony and Anspoks, Andris and Jonane, Inga and Ignatans, Reinis and Johnson, Brienne S. and Jones, Jacob L. and Tallarida, Massimo and Marini, Carlo and Simonelli, Laura and Hoenicke, Philipp and et al.}, year={2019}, month={Nov}, pages={158–169} }
 @article{zhao_li_zhang_li_jones_2019, title={Mechanisms underpinning the ultrahigh piezoelectricity in Sm-doped 0.705Pb(Mg1/3Nb2/3)O-3-0.295PbTiO(3): Temperature-induced metastable local structure and field-induced polarization rotation}, volume={126}, ISSN={["1089-7550"]}, DOI={10.1063/1.5089477}, abstractNote={The solid solution of (100 − x)%Pb(Mg1/3Nb2/3)O3-x%PbTiO3 (PMN-xPT) exhibits ultrahigh piezoelectric and dielectric properties near the morphotropic phase boundary compositions and, thus, has been extensively studied in recent years. Recently, 2.5 mol. % Sm-doped PMN-29PT polycrystalline ceramics were reported to possess the highest piezoelectric coefficients (∼1500 pC/N) among all reported piezoceramics, but the atomic-scale mechanisms for such high piezoelectric properties are not yet clear. In this paper, in situ X-ray diffraction and X-ray total scattering measurements during the application of an electric field, together with in situ total scattering measurement at different temperatures, were conducted for 2.5 mol. % Sm-doped PMN-29.5PT (2.5Sm-PMN-29.5PT). Both the largest field-induced strain and the piezoelectric response were found in the crystallites oriented with their ⟨100⟩PC directions parallel to the applied field. The local Pb displacement was analyzed using the reverse Monte Carlo method based on the pair distribution functions at different temperatures, where a temperature-induced directional change of Pb displacement was observed. Based on the experimental observations, a field-induced polarization rotation is suggested to be the dominant mechanism for the ultrahigh piezoelectricity of the 2.5Sm-PMN-29.5PT ceramic, while the ease of polarization rotation is possibly attributed to the temperature-induced metastable local monoclinic symmetries with their polar axes close to ⟨111⟩PC.The solid solution of (100 − x)%Pb(Mg1/3Nb2/3)O3-x%PbTiO3 (PMN-xPT) exhibits ultrahigh piezoelectric and dielectric properties near the morphotropic phase boundary compositions and, thus, has been extensively studied in recent years. Recently, 2.5 mol. % Sm-doped PMN-29PT polycrystalline ceramics were reported to possess the highest piezoelectric coefficients (∼1500 pC/N) among all reported piezoceramics, but the atomic-scale mechanisms for such high piezoelectric properties are not yet clear. In this paper, in situ X-ray diffraction and X-ray total scattering measurements during the application of an electric field, together with in situ total scattering measurement at different temperatures, were conducted for 2.5 mol. % Sm-doped PMN-29.5PT (2.5Sm-PMN-29.5PT). Both the largest field-induced strain and the piezoelectric response were found in the crystallites oriented with their ⟨100⟩PC directions parallel to the applied field. The local Pb displacement was analyzed using the reverse Monte Carlo method ...}, number={7}, journal={JOURNAL OF APPLIED PHYSICS}, author={Zhao, Changhao and Li, Fei and Zhang, Shujun and Li, Shengtao and Jones, Jacob L.}, year={2019}, month={Aug} }
 @article{schenk_fancher_park_richter_kuenneth_kersch_jones_mikolajick_schroeder_2019, title={On the Origin of the Large Remanent Polarization in La:HfO2}, volume={5}, ISSN={["2199-160X"]}, DOI={10.1002/aelm.201900303}, abstractNote={The outstanding remanent polarization of 40 µC cm–2 reported for a 10 nm thin La:HfO2 film in 2013 has attracted much attention. However, up to now, no explanation for this large remanent polarization has been presented. Density functional theory and X‐ray diffraction are used to shine light onto three major aspects that impact the macroscopically observed remanent polarization: phase fraction, spontaneous polarization, and crystallographic texture. Density functional theory calculations show that the spontaneous polarization (Ps) of La:HfO2 is indeed a bit larger than for other HfO2‐ or ZrO2‐based compounds; however, the Ps is not large enough to explain the observed differences in remanent polarization. While neither phase fractions nor spontaneous polarization nor strain are significantly different from those in other HfO2 films, a prominent 020/002 texture distinguishes La doped from other HfO2‐based ferroelectric films. Angular‐dependent diffraction data provide a pathway to calculate the theoretically expected remanent polarization, which is in agreement with the experimental observations. Finally, an interplay of the in‐plane strain and texture is proposed to impact the formation of the ferroelectric phase during annealing. Further aspects of the special role of La as a dopant are collected and discussed to motivate future research.}, number={12}, journal={ADVANCED ELECTRONIC MATERIALS}, author={Schenk, Tony and Fancher, Chris M. and Park, Min Hyuk and Richter, Claudia and Kuenneth, Christopher and Kersch, Alfred and Jones, Jacob L. and Mikolajick, Thomas and Schroeder, Uwe}, year={2019}, month={Dec} }
 @article{mittmann_materano_lomenzo_park_stolichnov_cavalieri_zhou_chung_jones_szyjka_et al._2019, title={Origin of Ferroelectric Phase in Undoped HfO2 Films Deposited by Sputtering}, volume={6}, ISSN={2196-7350 2196-7350}, url={http://dx.doi.org/10.1002/ADMI.201900042}, DOI={10.1002/admi.201900042}, abstractNote={Thin film metal–insulator–metal capacitors with undoped HfO2 as the insulator are fabricated by sputtering from ceramic targets and subsequently annealed. The influence of film thickness and annealing temperature is characterized by electrical and structural methods. After annealing, the films show distinct ferroelectric properties. Grazing incidence X‐ray diffraction measurements reveal a dominant ferroelectric orthorhombic phase for thicknesses in the 10–50 nm range and a negligible non‐ferroelectric monoclinic phase fraction. Sputtering HfO2 with additional oxygen during the deposition decreases the remanent polarization. Overall, the impact of oxygen vacancies and interstitials in the HfO2 film during deposition and annealing is correlated to the phase formation process.}, number={11}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Mittmann, Terence and Materano, Monica and Lomenzo, Patrick D. and Park, Min Hyuk and Stolichnov, Igor and Cavalieri, Matteo and Zhou, Chuanzhen and Chung, Ching‐Chang and Jones, Jacob L. and Szyjka, Thomas and et al.}, year={2019}, month={Jun}, pages={1900042} }
 @article{wang_fan_murakami_lu_hall_sinclair_feteira_tan_jones_kleppe_et al._2019, title={Origin of the large electrostrain in BiFeO3-BaTiO3 based lead-free ceramics}, volume={7}, ISSN={["2050-7496"]}, DOI={10.1039/c9ta07904a}, abstractNote={The large electrostrain (1 − x)BiFeO3-0.3BaTiO3-xNd(Li0.5Nb0.5)O3 ceramics is explained by the presence of polar nano-regions which distort in the direction of the applied field within multiple local symmetries.}, number={37}, journal={JOURNAL OF MATERIALS CHEMISTRY A}, author={Wang, Ge and Fan, Zhongming and Murakami, Shunsuke and Lu, Zhilun and Hall, David A. and Sinclair, Derek C. and Feteira, Antonio and Tan, Xiaoli and Jones, Jacob L. and Kleppe, Annette K. and et al.}, year={2019}, month={Oct}, pages={21254–21263} }
 @article{malur_mohan_barrington_leffler_malur_muller-borer_murray_kew_zhou_russell_et al._2019, title={Peroxisome Proliferator-activated Receptor-gamma Deficiency Exacerbates Fibrotic Response to Mycobacteria Peptide in Murine Sarcoidosis Model}, volume={61}, ISSN={["1535-4989"]}, DOI={10.1165/rcmb.2018-0346OC}, abstractNote={We established a murine model of multiwall carbon nanotube (MWCNT)-elicited chronic granulomatous disease which bears similarities to human sarcoidosis pathology including alveolar macrophage deficiency of peroxisome-proliferator-activated receptor gamma (PPARγ). Because lymphocyte reactivity to mycobacterial antigens has been reported in sarcoidosis, we hypothesized that addition of mycobacterial Early Secreted Antigenic Target Protein 6 (ESAT-6) to MWCNT might exacerbate pulmonary granulomatous pathology. MWCNT with or without ESAT-6 peptide-14 were instilled by oropharyngeal route into macrophage-specific PPARγ KO or wild-type mice. Controls received PBS or ESAT-6. Lung tissues, bronchoalveolar lavage (BAL) cells and fluid, were evaluated 60 days post instillation. PPARγ-KO mice receiving MWCNT+ESAT-6 had increased granulomas and significantly elevated fibrosis (trichrome staining) vs wild-type mice or PPARγ-KO mice receiving only MWCNT. Immunostaining of lung tissues noted elevated fibronectin and Siglec F expression on CD11c(+) infiltrating alveolar macrophages in the presence of MWCNT+ESAT-6 compared to MWCNT. Analyses of BALF proteins indicated increased levels of Transforming Growth Factor-β (TGF-β) and the TGF-β pathway mediator IL-13, in PPARγ-KO mice receiving MWCNT+ESAT-6 compared to wild-type or PPARγ KO receiving MWCNT. Similarly, mRNA levels of matrix metalloproteinase (MMP)-9, another requisite factor for TGF-β production, was elevated in PPARγKO by MWCNT+ESAT-6. Analysis of ESAT-6 in lung tissues by mass spectrometry revealed ESAT-6 retention in lung tissues of PPARγ-KO but not wild-type mice. Data indicate that PPARγ deficiency promotes pulmonary ESAT-6 retention, exacerbates macrophage responses to MWCNT+ESAT-6, and intensifies pulmonary fibrosis. Findings suggest that the model may facilitate understanding of the effects of environmental factors on sarcoidosis-associated pulmonary fibrosis.}, number={2}, journal={AMERICAN JOURNAL OF RESPIRATORY CELL AND MOLECULAR BIOLOGY}, author={Malur, Anagha and Mohan, Arjun and Barrington, Robert A. and Leffler, Nancy and Malur, Amrita and Muller-Borer, Barbara and Murray, Gina and Kew, Kim and Zhou, Chuanzhen and Russell, Josh and et al.}, year={2019}, month={Aug}, pages={198–208} }
 @article{jhuang_fuentes_jones_esteves_fancher_furman_reich_2019, title={Spatial Signal Detection Using Continuous Shrinkage Priors}, volume={61}, ISSN={["1537-2723"]}, DOI={10.1080/00401706.2018.1546622}, abstractNote={Abstract Motivated by the problem of detecting changes in two-dimensional X-ray diffraction data, we propose a Bayesian spatial model for sparse signal detection in image data. Our model places considerable mass near zero and has heavy tails to reflect the prior belief that the image signal is zero for most pixels and large for an important subset. We show that the spatial prior places mass on nearby locations simultaneously being zero, and also allows for nearby locations to simultaneously be large signals. The form of the prior also facilitates efficient computing for large images. We conduct a simulation study to evaluate the properties of the proposed prior and show that it outperforms other spatial models. We apply our method in the analysis of X-ray diffraction data from a two-dimensional area detector to detect changes in the pattern when the material is exposed to an electric field.}, number={4}, journal={TECHNOMETRICS}, author={Jhuang, An-Ting and Fuentes, Montserrat and Jones, Jacob L. and Esteves, Giovanni and Fancher, Chris M. and Furman, Marschall and Reich, Brian J.}, year={2019}, month={Oct}, pages={494–506} }
 @article{johnson_fancher_hou_jones_2019, title={Structure of HfO2 modified with Y, Gd, and Zr at ambient conditions and high pressures}, volume={126}, ISSN={["1089-7550"]}, DOI={10.1063/1.5121024}, abstractNote={High-resolution and high-pressure X-ray diffraction measurements were performed to determine the effects of 5% Y, 3% Gd, and 50% Zr substitution on the crystal structure and polymorphism of HfO2. High-resolution experiments at ambient pressure show a mixture of monoclinic and cubic fluorite phases in 5% Y:HfO2 and 3% Gd:HfO2, while 50% Zr:HfO2 formed a monoclinic, single-phase solid solution. Crystallographic refinement using the Rietveld method indicates that Y and Gd substitute for Hf in both the monoclinic and cubic phases. High-pressure X-ray diffraction was performed in situ up to 31 GPa and shows that the pressure-induced phase transitions were reduced with the addition of either Y, Gd, or Zr relative to the transition pressures in undoped HfO2. The pressure-induced changes in lattice parameter, relative volume, and spontaneous strain are reported.}, number={20}, journal={JOURNAL OF APPLIED PHYSICS}, author={Johnson, Brienne and Fancher, Chris M. and Hou, Dong and Jones, Jacob L.}, year={2019}, month={Nov} }
 @article{strnad_potrepka_pulskamp_liu_jones_phaneuf_polcawich_2019, title={Texture and phase variation of ALD PbTiO3 films crystallized by rapid thermal anneal}, volume={37}, ISSN={["1520-8559"]}, DOI={10.1116/1.5080226}, abstractNote={PbTiO3 (lead titanate) thin films were deposited by atomic layer deposition (ALD) and crystallized via rapid thermal anneal. The films were grown using lead bis(3-N,N-dimethyl-2-methyl-2-propanoxide) and tetrakis dimethylamino titanium as cation precursors. A combination of H2O and ozone was used as oxidizers. Phase-pure, stoichiometric PbTiO3 was confirmed using x-ray diffraction, Rutherford backscattering spectroscopy, and scanning transmission electron microscopy. Ferroelectric hysteresis loops obtained by patterning circular capacitors with areas of 4.92 × 10−4 cm2 indicate a Pmax = 48 μC/cm2, 2Pr = 60 μC/cm2, Ec1 = −73 kV/cm, Ec2 = 125 kV/cm, and a leakage current density of 15 μA/cm2 at 138 kV/cm. Capacitance versus voltage measurements were used to obtain a maximum dielectric constant of 290 at 85 kV/cm and loss tangent under 4% tested in the range of ±275 kV/cm. ALD PbTiO3 grown with near-ideal cation ratios crystallized into randomly oriented perovskite grains when grown on a sputtered Pt-coated Si substrate. A variation of rapid thermal anneal temperatures, ramp rates, and nucleation layers was investigated and did not have a significant effect on perovskite grain orientation.PbTiO3 (lead titanate) thin films were deposited by atomic layer deposition (ALD) and crystallized via rapid thermal anneal. The films were grown using lead bis(3-N,N-dimethyl-2-methyl-2-propanoxide) and tetrakis dimethylamino titanium as cation precursors. A combination of H2O and ozone was used as oxidizers. Phase-pure, stoichiometric PbTiO3 was confirmed using x-ray diffraction, Rutherford backscattering spectroscopy, and scanning transmission electron microscopy. Ferroelectric hysteresis loops obtained by patterning circular capacitors with areas of 4.92 × 10−4 cm2 indicate a Pmax = 48 μC/cm2, 2Pr = 60 μC/cm2, Ec1 = −73 kV/cm, Ec2 = 125 kV/cm, and a leakage current density of 15 μA/cm2 at 138 kV/cm. Capacitance versus voltage measurements were used to obtain a maximum dielectric constant of 290 at 85 kV/cm and loss tangent under 4% tested in the range of ±275 kV/cm. ALD PbTiO3 grown with near-ideal cation ratios crystallized into randomly oriented perovskite grains when grown on a sputtered Pt-coated ...}, number={2}, journal={JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A}, author={Strnad, Nicholas A. and Potrepka, Daniel M. and Pulskamp, Jeffrey S. and Liu, Yang and Jones, Jacob L. and Phaneuf, Raymond J. and Polcawich, Ronald G.}, year={2019}, month={Mar} }
 @article{jones_broughton_iamsasri_fancher_wilson_reich_smith_2019, title={The use of Bayesian inference in the characterization of materials and thin films}, volume={75}, ISSN={["2053-2733"]}, DOI={10.1107/S0108767319097940}, journal={ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES}, author={Jones, Jacob L. and Broughton, Rachel and Iamsasri, Thanakorn and Fancher, Chris M. and Wilson, Alyson G. and Reich, Brian and Smith, Ralph C.}, year={2019}, pages={A211–A211} }
 @article{manjon-sanz_culbertson_hou_jones_dolgos_2019, title={Total scattering and diffraction studies of lead-free piezoelectric (1-x) Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 deconvolute intrinsic and extrinsic contributions to electromechanical strain}, volume={171}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2019.04.005}, abstractNote={The piezoelectric material (1-x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 (BZT-xBCT) has emerged as a leading lead-free candidate to replace Pb(Zr1-xTix)O3 (PZT) for certain applications. However, the structural response of BZT-xBCT to an electric field is not well understood, particularly how the local structure responds to varying electric fields. In this study, in situ synchrotron X-ray diffraction and total scattering measurements were performed on BZT-xBCT from x = 0.45 to 0.60. The lattice distortions were quantified from the unit cell parameters for the compositions in the orthorhombic (O) region (x = 0.45 to 0.50) and tetragonal (T) region (x = 0.51 to 0.60). It was found that the lattice distortion is minimized in compositions that exhibit the largest effective piezoelectric effect, particularly at the x = 0.45 composition (between the rhombohedral (R) and O regions) and at the morphotropic phase boundary (MPB) composition x = 0.50 (between O and T regions). The degree of domain wall motion was quantified, and the results indicate that as the MPB is approached, the degree of domain wall motion increases dramatically. The increase in domain wall motion also coincides with the minimization of the lattice distortion. The pair distribution functions (PDFs) were calculated from the Fourier transform of the total scattering data. Analysis of the PDF peak shifts with electric field shows nonlinear lattice strains across all compositions, which indicates a deviation from classical piezoelectric behavior. We conclude that the strong piezoelectric properties in the BZT-xBCT system are attributed to an increased degree of domain wall reorientation that is facilitated by a decreased lattice distortion.}, journal={ACTA MATERIALIA}, author={Manjon-Sanz, Alicia and Culbertson, Charles M. and Hou, Dong and Jones, Jacob L. and Dolgos, Michelle R.}, year={2019}, month={Jun}, pages={79–91} }
 @article{cho_chung_podowitz-thomas_jones_2019, title={Understanding the lithium deficient LixNiyMnzCo1-y-zO2 (x < 1) cathode materials structure}, volume={228}, ISSN={["1879-3312"]}, DOI={10.1016/j.matchemphys.2019.02.028}, abstractNote={Recent works on lithium deficient LixNi1/3Mn1/3Co1/3O2 (x < 1) (NMC) cathode material has shown promises as a high voltage and high-temperature cathode material. In this work, the structure of such materials was studied with in situ XRD, DSC, and Raman spectroscopy. Moreover, to extend the understanding to higher nickel cathodes, LixNi0.6Mn0.2Co0.2O2 (x < 1) and LixNi0.8Mn0.1Co0.1O2 (x < 1) were studied together with the LixNi1/3Mn1/3Co1/3O2 (x < 1). In situ XRD results showed the lithium deficient cathode materials to be in rhombohedral (R-3m) phase at above 840 °C. A higher cation mixing is observed with increasing nickel content in the NMC cathode materials. Raman spectroscopy has indicated that MnO bonding spinel phase peak detected around 630 cm−1 and found much higher intensity for NMC111 compared to the NMC622 and NMC811. It concludes that the formation of trace spinel phase in lithium deficient NMC materials is not due to cation mixing which mostly discussed in such a high nickel content cathode materials.}, journal={MATERIALS CHEMISTRY AND PHYSICS}, author={Cho, Sung-Jin and Chung, Ching-Chang and Podowitz-Thomas, Stephen and Jones, Jacob L.}, year={2019}, month={Apr}, pages={32–36} }
 @article{khazaee_sardashti_sun_zhou_clegg_hill_jones_lupascu_mitzi_2018, title={A versatile thin-film deposition method for multidimensional semiconducting bismuth halides}, volume={30}, DOI={10.1021/acs.chemmater.8b01341}, abstractNote={Despite the significant progress in fabricating hybrid organic–inorganic lead halide perovskite solar cells, their toxicity and low stability remain as major drawbacks, thereby hindering large-scale commercialization. Given the isoelectronic nature of lead(II) and bismuth(III) ions, potentially stable and nontoxic alternatives for efficient light absorption in thin-film photovoltaic (PV) devices may be found among bismuth-based halide semiconductors. However, high-quality polycrystalline films of many of these systems have not been demonstrated. Here we present a versatile and facile two-step coevaporation approach to fabricate A3Bi2I9 (A = Cs, Rb) and AgBi2I7 polycrystalline films with smooth, pinhole-free morphology and average grain size of >200 nm. The process involves an initial two-source evaporation step (involving CsI, RbI or AgI, and BiI3 sources), followed by an annealing step under BiI3 vapor. The structural, optical, and electrical characteristics of the resulting thin films are studied by X-r...}, number={10}, journal={Chemistry of Materials}, author={Khazaee, M. and Sardashti, K. and Sun, J. P. and Zhou, H. H. and Clegg, C. and Hill, I. G. and Jones, J. L. and Lupascu, D. C. and Mitzi, D. B.}, year={2018}, pages={3538–3544} }
 @article{grieger_bossa_levis_von borries_strader_cuchiara_hendren_hansen_jones_2018, title={Application and testing of risk screening tools for nanomaterial risk analysis}, volume={5}, ISSN={2051-8153 2051-8161}, url={http://dx.doi.org/10.1039/C8EN00518D}, DOI={10.1039/C8EN00518D}, abstractNote={The field of engineered nanomaterial (ENM) risk analysis has matured significantly in the past decade. While there is a suite of new, emerging tools to evaluate ENM risks and make decisions regarding these risks, there has not yet been thorough testing of these tools. This analysis applies and tests three risk screening tools (NanoRiskCat, LICARA nanoSCAN, NanoGRID) using a common case study focused on ENMs designed for water treatment technologies, compares results generated, and highlights key lessons learned and best practices for stakeholders involved in developing and/or applying ENM risk screening tools. NanoRiskCat was found to be most useful for providing a visual aid to characterize the potential exposure and health impact profiles of the ENMs, while LICARA nanoSCAN was most useful for providing guidance on proceeding with ENM-enabled innovations. NanoGRID was helpful for characterizing data on potential ENM exposure and hazards and providing detailed guidance for subsequent laboratory-based testing. At the same time, several key challenges were identified during tool application and testing phases, ranging from minor inconveniences to more complex, foundational issues. Key lessons learned and potential best practices gleaned from this analysis include: i) risk screening tools can be used together in a complementary manner; ii) risk managers and other users should be clear on the selection of underlying data and impacts on results; iii) multidisciplinary teams are essential for tool completion; and iv) continued testing and validation of emerging risk analysis tools for ENMs is a continued research need.}, number={8}, journal={Environmental Science: Nano}, publisher={Royal Society of Chemistry (RSC)}, author={Grieger, Khara and Bossa, Nathan and Levis, James W. and von Borries, Kerstin Johanna Felicitas and Strader, Phillip and Cuchiara, Maude and Hendren, Christine Ogilvie and Hansen, Steffen Foss and Jones, Jacob L.}, year={2018}, pages={1844–1858} }
 @article{baure_zhou_chung_buck_stozhkova_jones_nino_2018, title={Comparison of the in- and across-plane ionic conductivity of highly oriented neodymium doped ceria thin films}, volume={147}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2017.12.057}, abstractNote={To determine the effect of grain boundaries and grain orientation on the electrical properties of solid oxide fuel cell electrolytes, a comparison of the in-plane and across-plane ionic conductivity of both strongly and poorly textured, columnar-grained doped ceria thin films was performed within equivalent temperature ranges (150–300 °C). Additionally, the in-plane conductivity of partially amorphous films, polycrystalline films with randomly oriented grains, and single crystal, epitaxial films with no grain boundaries was determined. Pulsed laser deposition permitted the growth of all these types of films and the ability to grow columnar-grained doped ceria on both conducting and insulating surfaces enabled testing of the films both in-plane and across-plane. Compared to the columnar-grained samples, partially amorphous films exhibited a lower conductivity, while epitaxial doped ceria exhibited an enhancement in conductivity of 2 orders of magnitude. Between 300 and 400 °C, the in-plane conductivity of the strongly textured film was higher than the poorly textured one. The conductivity and activation energy in-plane and across-plane for the strongly textured film was similar (2.75 × 10−5 S/cm, 0.70 eV vs. 5.50 × 10−5 S/cm, 0.68 eV at 250 °C). In contrast, for the poorly textured films, the in-plane and across-plane conductivity values differed by almost an order of magnitude (2.86 × 10−5 S/cm, 0.55 eV vs. 1.99 × 10−4 S/cm, 0.78 eV at 250 °C) suggesting that the boundaries between oriented grains were less resistive. These results further strengthen the argument that grain orientation affects ionic transport through grain boundaries.}, journal={ACTA MATERIALIA}, author={Baure, George and Zhou, Hanhan and Chung, Ching-Chang and Buck, Marissa N. and Stozhkova, Mariia A. and Jones, Jacob L. and Nino, Juan C.}, year={2018}, month={Apr}, pages={10–15} }
 @article{zhao_hou_chung_zhou_kynast_hennig_liu_li_jones_2018, title={Deconvolved intrinsic and extrinsic contributions to electrostrain in high performance, Nb-doped Pb(ZrxTi1-x)O-3 piezoceramics (0.50 <= x <= 0.56)}, volume={158}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2018.08.006}, abstractNote={Lead zirconate titanate (PZT) is the base compound for the highest performing piezoelectric compositions. When doped with Nb, PZT has superior electrostrain and piezoelectric properties. However, the origin of that electrostrain involves both intrinsic and extrinsic contributions which have been challenging to deconvolute. In the present work, we utilize high-energy, synchrotron X-ray diffraction (XRD) in combination with an area detector to measure the response of 1% Nb-doped PbZrxTi1-xO3 (PZT, 0.50 ≤ x ≤ 0.56) piezoceramics to electric fields. Using analysis involving micromechanics-based calculations and pair distribution functions (PDFs), it is found that both the intrinsic and extrinsic contributions are important for realization of high electrostrain. In the compositions nearest the morphotropic phase boundary (MPB), the relative contributions of the intrinsic response increase. The interdependence of crystal symmetry (tetragonal and rhombohedral), spontaneous strain, and the extent of non-180° domain switching are also elucidated. An orientation dependence in the field-induced lattice strain is observed and attributed to extrinsic effects, i.e., the intergranular interaction between domain switching and lattice strain. Finally, the PDFs suggest that a continuous rotation of the polarization vector occurs in the tetragonal phase samples due to piezoelectric distortion, being most obvious in the compositions near the MPB, but is not observed in the rhombohedral phase samples.}, journal={ACTA MATERIALIA}, author={Zhao, Changhao and Hou, Dong and Chung, Ching-Chang and Zhou, Hanhan and Kynast, Antje and Hennig, Eberhard and Liu, Wenfeng and Li, Shengtao and Jones, Jacob L.}, year={2018}, month={Oct}, pages={369–380} }
 @article{chang_chung_luo_kim_yamashita_jones_jiang_2018, title={Dielectric and piezoelectric properties of 0.7 Pb(Mg1/3Nb2/3)O-3-0.3 PbTiO3 single crystal poled using alternating current}, volume={6}, ISSN={["2166-3831"]}, DOI={10.1080/21663831.2018.1498812}, abstractNote={ABSTRACT In this paper, 0.7Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-30%PT) single crystal samples were poled using an alternating current (electric field) poling (ACP) method. Compared to the traditional poling method, the piezoelectric coefficient, free and clamped dielectric constants were improved more than 21%. X-ray diffraction result suggests the existence of monoclinic phase (MA) in ACP samples and piezoresponse force microscopy (PFM) result further depicts the finer engineered domain structures. The ACP sample also showed the unique phase transition sequences during the depoling process. Our work could provide a novel domain engineered method to enhance piezoelectric properties of PMN-PT single crystal. GRAPHICAL ABSTRACT IMPACT STATEMENT Piezoelectric and dielectric properties of relaxor-PT single crystals can be significantly enhanced by employing the new alternating current poling method, attributing to the unique heterogenous domain structure containing unprecedented domain wall density.}, number={10}, journal={MATERIALS RESEARCH LETTERS}, author={Chang, Wei-Yi and Chung, Ching-Chang and Luo, Chengtao and Kim, Taeyang and Yamashita, Yohachi and Jones, Jacob L. and Jiang, Xiaoning}, year={2018}, pages={537–544} }
 @article{park_chung_schenk_richter_opsomer_detavernier_adelmann_jones_mikolajick_schroeder_2018, title={Effect of Annealing Ferroelectric HfO2
 Thin Films: In Situ, High Temperature X-Ray Diffraction}, volume={4}, ISSN={2199-160X}, url={http://dx.doi.org/10.1002/AELM.201800091}, DOI={10.1002/AELM.201800091}, abstractNote={The ferroelectricity in fluorite oxides has gained increasing interest due to its promising properties for multiple applications in semiconductor as well as energy devices. The structural origin of the unexpected ferroelectricity is now believed to be the formation of a non‐centrosymmetric orthorhombic phase with the space group of Pca21. However, the factors driving the formation of the ferroelectric phase are still under debate. In this study, to understand the effect of annealing temperature, the crystallization process of doped HfO2 thin films is analyzed using in situ, high‐temperature X‐ray diffraction. The change in phase fractions in a multiphase system accompanied with the unit cell volume increase during annealing could be directly observed from X‐ray diffraction analyses, and the observations give an information toward understanding the effect of annealing temperature on the structure and electrical properties. A strong coupling between the structure and the electrical properties is reconfirmed from this result.}, number={7}, journal={Advanced Electronic Materials}, publisher={Wiley}, author={Park, Min Hyuk and Chung, Ching-Chang and Schenk, Tony and Richter, Claudia and Opsomer, Karl and Detavernier, Christophe and Adelmann, Christoph and Jones, Jacob L. and Mikolajick, Thomas and Schroeder, Uwe}, year={2018}, month={May}, pages={1800091} }
 @article{denis_glaum_hoffman_daniels_hooper_tutuncu_forrester_jones_2018, title={Effect of mechanical depoling on piezoelectric properties of Na0.5Bi0.5TiO3-xBaTiO(3) in the morphotropic phase boundary region}, volume={53}, ISSN={["1573-4803"]}, DOI={10.1007/s10853-017-1616-2}, number={3}, journal={JOURNAL OF MATERIALS SCIENCE}, author={Denis, Lyndsey M. and Glaum, Julia and Hoffman, Mark and Daniels, John E. and Hooper, Ryan J. and Tutuncu, Goknur and Forrester, Jennifer S. and Jones, Jacob L.}, year={2018}, month={Feb}, pages={1672–1679} }
 @article{hsain_sharma_yu_jones_so_seidel_2018, title={Enhanced piezoelectricity of thin film hafnia-zirconia (HZO) by inorganic flexible substrates}, volume={113}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.5031134}, DOI={10.1063/1.5031134}, abstractNote={Hf0.5Zr0.5O2 (HZO) films are grown on rigid glass and flexible polyimide substrates using non-rapid thermal annealing. Films are comparatively investigated using macroscopic and local probe-based approaches to characterize their ferroelectric and piezoelectric properties. The polarization-electric field (P-E) measurements reveal that the ferroelectric characteristics of these thin films agree with the observed switchable piezoresponse hysteresis loops as well as electrically written, oppositely oriented domains. Moreover, the HZO thin films grown on flexible polyimide substrates display significantly enhanced piezoelectric response in comparison to the films grown on rigid substrates. This effect is likely due to improved domain wall motion caused by the mechanical release of the film-substrate couple. These findings suggest that inherently lead-free HZO thin films on flexible substrates are potential candidate materials for improved piezoelectric applications in wearable devices.Hf0.5Zr0.5O2 (HZO) films are grown on rigid glass and flexible polyimide substrates using non-rapid thermal annealing. Films are comparatively investigated using macroscopic and local probe-based approaches to characterize their ferroelectric and piezoelectric properties. The polarization-electric field (P-E) measurements reveal that the ferroelectric characteristics of these thin films agree with the observed switchable piezoresponse hysteresis loops as well as electrically written, oppositely oriented domains. Moreover, the HZO thin films grown on flexible polyimide substrates display significantly enhanced piezoelectric response in comparison to the films grown on rigid substrates. This effect is likely due to improved domain wall motion caused by the mechanical release of the film-substrate couple. These findings suggest that inherently lead-free HZO thin films on flexible substrates are potential candidate materials for improved piezoelectric applications in wearable devices.}, number={2}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Hsain, H. Alex and Sharma, Pankaj and Yu, Hyeonggeun and Jones, Jacob L. and So, Franky and Seidel, Jan}, year={2018}, month={Jul}, pages={022905} }
 @article{ciuchi_chung_fancher_capiani_jones_mitoseriu_galassi_2018, title={Field induced metastable ferroelectric phase in Pb0.97La0.03(Zr0.90Ti0.10)(Zr0.90Ti0.10)(0.9925)O-3 ceramics}, volume={38}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2017.11.009}, abstractNote={Pb0.97La0.03(Zr0.9Ti0.1)0.9925O3 (PLZT 3/90/10) ceramics prepared by solid-state reaction with the compositions near the antiferroelectric/ferroelectric (FE/AFE) phase boundary were studied. From the polarization–electric field P(E) dependence and ex situ X-ray study, an irreversible electric field induced AFE-to-FE phase transition is verified at room temperature. Dielectric and in situ temperature dependent X-ray analysis evidence that the phase transition sequence in PLZT 3/90/10-based ceramics can be readily altered by poling. A first order antiferroelectric-paraelectric (AFE-to-PE) transition occurred at ∼190 °C in virgin sample and at ∼180 °C in poled sample. In addition, a FE-to-AFE transition occurs in the poled ceramic at much lower temperatures (∼120 °C) with respect to the Curie range (∼190 °C). The temperature-induced FE-to-AFE transition is diffuse and takes place in a broad temperature range of 72–135 °C. The recovery of AFE is accompanied by an enhancement in the piezoelectric properties.}, number={4}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Ciuchi, I. V. and Chung, C. C. and Fancher, C. M. and Capiani, C. and Jones, J. L. and Mitoseriu, L. and Galassi, C.}, year={2018}, month={Apr}, pages={1479–1487} }
 @article{hou_usher_fulanovic_vrabelj_otonicar_ursic_malic_levin_jones_2018, title={Field-induced polarization rotation and phase transitions in 0.70Pb(Mg1/3Nb2/3)O-3-0.30PbTiO(3) piezoceramics observed by in situ high-energy x-ray scattering}, volume={97}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.97.214102}, abstractNote={Changes to the crystal structure of $0.70\mathrm{Pb}(\mathrm{M}{\mathrm{g}}_{1/3}\mathrm{N}{\mathrm{b}}_{2/3}){\mathrm{O}}_{3}\ensuremath{-}0.30\mathrm{PbTi}{\mathrm{O}}_{3}$ (PMN-0.30PT) piezoceramic under application of electric fields at the long-range and local scale are revealed by in situ high-energy x-ray diffraction (XRD) and pair-distribution function (PDF) analyses, respectively. The crystal structure of unpoled samples is identified as monoclinic $Cm$ at both the long-range and local scale. In situ XRD results suggest that field-induced polarization rotation and phase transitions occur at specific field strengths. A polarization rotation pathway is proposed based on the Bragg-peak behaviors and the Le Bail fitting results of the in situ XRD patterns. The PDF results show systematic changes to the structures at the local scale, which is in agreement with the changes inferred from the in situ XRD study. More importantly, our results prove that polarization rotation can be detected and determined in a polycrystalline relaxor ferroelectric. This study supports the idea that multiple contributions, specifically ferroelectric-ferroelectric phase transition and polarization rotation, are responsible for the high piezoelectric properties at the morphotropic phase boundary of PMN-$x\mathrm{PT}$ piezoceramics.}, number={21}, journal={PHYSICAL REVIEW B}, author={Hou, Dong and Usher, Tedi-Marie and Fulanovic, Lovro and Vrabelj, Marko and Otonicar, Mojca and Ursic, Hana and Malic, Barbara and Levin, Igor and Jones, Jacob L.}, year={2018}, month={Jun} }
 @article{grimley_frisone_schenk_park_fancher_mikolajick_jones_schroeder_lebeau_2018, title={Insights into Texture and Phase Coexistence in Polycrystalline and Polyphasic Ferroelectric HfO2 Thin Films using 4D-STEM}, volume={24}, ISSN={1431-9276 1435-8115}, url={http://dx.doi.org/10.1017/S1431927618001411}, DOI={10.1017/S1431927618001411}, abstractNote={The realization of competitively scaled and reliable ferroelectric non-volatile memories has been hindered for several decades by absence of a ferroelectric that maintains sufficient polarization when integrated into a full CMOS flow scaled thicknesses of around 10 nm. In 2011, Böscke and coworkers [1] reported ferroelectricity in 10 nm thick HfO 2 thin films grown on Si (001) with atomic layer deposition (ALD), which has catalyzed research to realize next-generation memories with its ferroelectric properties. Epitaxial films have been grown, and the domain and grain sub-structuring of both epitaxial [2] and polycrystalline [3] HfO 2 have started to be revealed. Strain commonly imparts unique electrical and magnetic properties to many materials, and studies are revealing that HfO 2 is no exception. The growth of epitaxial non-centrosymmetric Pca2 1 orthorhombic HfO 2 shows an important dependence on the substrate [2], and first principles calculations have outlined the important stabilizing influence of grain size and surface energy for the various stable and metastable HfO 2 polymorphs [4,5]. ALD HfO 2 samples are crystallized between two polycrystalline TiN electrodes via rapid thermal annealing [1,3]. Thin films with small grain sizes with multiple HfO 2 polymorphs}, number={S1}, journal={Microscopy and Microanalysis}, publisher={Cambridge University Press (CUP)}, author={Grimley, Everett D. and Frisone, Sam and Schenk, Tony and Park, Min Hyuk and Fancher, Chris M. and Mikolajick, Thomas and Jones, Jacob L. and Schroeder, Uwe and LeBeau, James M.}, year={2018}, month={Aug}, pages={184–185} }
 @article{schroeder_richter_park_schenk_pesic_hoffmann_fengler_pohl_rellinghaus_zhou_et al._2018, title={Lanthanum-Doped Hafnium Oxide: A Robust Ferroelectric Material}, volume={57}, ISSN={["1520-510X"]}, DOI={10.1021/acs.inorgchem.7b03149}, abstractNote={Recently simulation groups have reported the lanthanide series elements as the dopants that have the strongest effect on the stabilization of the ferroelectric non-centrosymmetric orthorhombic phase in hafnium oxide. This finding confirms experimental results for lanthanum and gadolinium showing the highest remanent polarization values of all hafnia-based ferroelectric films until now. However, no comprehensive overview that links structural properties to the electrical performance of the films in detail is available for lanthanide-doped hafnia. La:HfO2 appears to be a material with a broad window of process parameters, and accordingly, by optimization of the La content in the layer, it is possible to improve the performance of the material significantly. Variations of the La concentration leads to changes in the crystallographic structure in the bulk of the films and at the interfaces to the electrode materials, which impacts the spontaneous polarization, internal bias fields, and with this the field cycling behavior of the capacitor structure. Characterization results are compared to other dopants like Si, Al, and Gd to validate the advantages of the material in applications such as semiconductor memory devices.}, number={5}, journal={INORGANIC CHEMISTRY}, author={Schroeder, Uwe and Richter, Claudia and Park, Min Hyuk and Schenk, Tony and Pesic, Milan and Hoffmann, Michael and Fengler, Franz P. G. and Pohl, Darius and Rellinghaus, Bernd and Zhou, Chuanzhen and et al.}, year={2018}, month={Mar}, pages={2752–2765} }
 @article{hou_zhao_paterson_li_jones_2018, title={Local structures of perovskite dielectrics and ferroelectrics via pair distribution function analyses}, volume={38}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2017.12.003}, abstractNote={The pair distribution function (PDF) method provides a useful way of characterizing the diverse and richly complex local structures in perovskite dielectric and ferroelectric materials. This review provides a basic introduction to the PDF method and the underpinning total scattering experiments. Results are reviewed from ex situ PDF that describe composition-dependent local structures and “box-car” fitting approaches to characterize longer range structures and length-scale effects. In situ PDF studies are reviewed that are sensitive to the local structural response of perovskites to temperature, electric field, and pressure. The dynamic pair-density function is also briefly introduced as well as examples of local structure analysis using combined inputs, e.g., extended X-ray absorption fine structure spectroscopy, Raman spectroscopy, and first-principle calculations. These advances in advanced and integrated analysis, dynamics, and in situ methods will enable the PDF method to continue enlightening dielectrics and ferroelectrics research in the coming decades.}, number={4}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Hou, Dong and Zhao, Changhao and Paterson, Alisa R. and Li, Shengtao and Jones, Jacob L.}, year={2018}, month={Apr}, pages={971–987} }
 @article{otonicar_ursic_dragomir_bradesko_esteves_jones_bencan_malic_rojac_2018, title={Multiscale field-induced structure of (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) ceramics from combined techniques}, volume={154}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2018.05.028}, abstractNote={The vast majority of studies on field-induced changes in (1–x)Pb(Mg1/3Nb2/3)O3–xPbTiO3 (PMN–xPT) materials at the morphotropic phase boundary (MPB) have been performed on single crystals, while the more complex responses in polycrystalline materials have not yet been resolved. By using combined microscopy and diffraction techniques, this study aims to determine the structural changes induced by application of an electric field to two representative MPB compositions of the PMN–xPT family, namely, PMN–30PT with the initial Cm and Pm coexisting phases, and PMN–35PT with the P4mm and Pm phases. Both ceramic compositions are characterized by a hierarchical domain structure with domains present at different length-scales. Based on the applied field measurements, major contributing effects in both compositions are outlined and discussed with respect to the processes related to the monoclinic phase and the adaptive phase theory. It is shown that the highly mobile domain walls are largely involved, along with the field-induced polarization rotation in the monoclinic PMN–30PT, and a phase transition to a mainly tetragonal structure in PMN–35PT. These multiscale results elucidate important aspects of field-induced changes in PMN–xPT materials, contributing to the understanding of the complex electrical and electromechanical response of relaxor ferroelectrics.}, journal={ACTA MATERIALIA}, author={Otonicar, M. and Ursic, H. and Dragomir, M. and Bradesko, A. and Esteves, G. and Jones, J. L. and Bencan, A. and Malic, B. and Rojac, T.}, year={2018}, month={Aug}, pages={14–24} }
 @article{park_chung_schenk_richter_hoffmann_wirth_jones_mikolajick_schroeder_2018, title={Origin of Temperature-Dependent Ferroelectricity in Si-Doped HfO2}, volume={4}, ISSN={2199-160X}, url={http://dx.doi.org/10.1002/AELM.201700489}, DOI={10.1002/AELM.201700489}, abstractNote={Abstract The structural origin of the temperature‐dependent ferroelectricity in Si‐doped HfO 2 thin films is systematically examined. From temperature‐dependent polarization‐electric field measurements, it is shown that remanent polarization increases with decreasing temperature. Concurrently, grazing incidence X‐ray diffraction shows an increase in the orthorhombic phase fraction with decreasing temperature. The temperature‐dependent evolution of structural and ferroelectric properties is believed to be highly promising for the electrocaloric cooling application. Magnetization measurements do not provide any indication for a change of magnetization within the temperature range for the strong crystalline phase transition, suggesting that magnetic and structural properties are comparatively decoupled. The results are believed to provide the first direct proof of the strongly coupled evolution of structural and electrical properties with varying temperature in fluorite oxide ferroelectrics.}, number={4}, journal={Advanced Electronic Materials}, publisher={Wiley}, author={Park, Min Hyuk and Chung, Ching-Chang and Schenk, Tony and Richter, Claudia and Hoffmann, Michael and Wirth, Steffen and Jones, Jacob L. and Mikolajick, Thomas and Schroeder, Uwe}, year={2018}, month={Mar}, pages={1700489} }
 @article{chang_chung_yuan_chang_tian_viehland_li_jones_jiang_2018, title={Patterned nano-domains in PMN-PT single crystals}, volume={143}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2017.10.016}, abstractNote={The domain structure, dielectric, and piezoelectric properties of 0.7 Pb(Mg1/3Nb2/3)O3-0.3PbTiO3 (PMN-PT) single crystals with nanocomposite electrode, which includes MnOx semiconductor nanogratings and a Ti/Au conductive layer, were studied in this paper. These artificial MnOx nanogratings can alter the electric field distribution and then enhance the domain density. PMN-PT crystals with Ti/Au-MnOx nanocomposite electrodes showed high piezoelectric constant of 2250 p.m./V and dielectric constant of 5400 at 1 kHz, respectively. Compared to ones with conventional planar electrodes, the piezoelectric and dielectric constants of the samples with nanocomposite electrodes were increased 36.7% and 38.3%, respectively. Piezoresponse force microscopy (PFM) images revealed the domain pattern near the electrode/single crystal interface. A linear domain structure induced by the MnOx nanocomposite electrode was found in the samples with thickness less than 200 μm. Time-of-flight secondary ion mass spectrometry (TOF-SIMS) results showed the diffusion of Mn about 300 nm in depth in PMNPT crystal after heat treatment during MnOx nanocomposite electrode. It is believed that the localized high electric fields induced by fringe effects caused by the nanocomposite electrode can enhance nucleation of new domains, and that diffusion from the patterned Mn layer may also lead to an enhancement in domain wall mobility. Our findings open up a new domain engineering technique for tailoring the dielectric and piezoelectric properties of PMN-PT single crystals.}, journal={Acta Materialia}, author={Chang, W.-Y. and Chung, C.-C. and Yuan, Z. and Chang, C.-H. and Tian, J. and Viehland, D. and Li, J.-F. and Jones, J.L. and Jiang, X.}, year={2018}, month={Jan}, pages={166–173} }
 @article{choi_pramanick_misture_paterson_jones_borkiewicz_ren_2018, title={Polarization Mechanisms in P(VDF-TrFE) Ferroelectric Thin Films}, volume={12}, ISSN={["1862-6270"]}, DOI={10.1002/pssr.201800340}, abstractNote={Ferroelectric polymers have gained tremendous attention due to several attractive properties including high breakdown strength, low dielectric loss, relatively fast charge/discharge rates and greater flexibility than their ceramic counterparts. In order to achieve enhanced energy efficiency in high‐energy storage capacitor applications, it is desirable to obtain slim polarization hysteresis loops for ferroelectric polymer films. Here, it has been demonstrated that promotion of large crystallites and γ phase content through thermal annealing provides a cost‐effective way to obtain a quasi‐linear polarization response in a PVDF co‐polymer thin film. The polarization mechanisms underlying a thin hysteresis loop in the thermally annealed film are elucidated using direct experimental insights from in situ synchrotron diffraction with two‐dimensional detection. It has been demonstrated that the susceptibility for electric‐field‐induced structural changes is higher in the defective ferroelectric phase γ than the polar phase β, due to a higher flexibility for accommodation of gauche bond along the carbon chain. In addition, the polymer chains in the γ phase also exhibit a range of different responses depending on their orientations with respect to the electric field. These results are broadly significant as they provide a fundamental basis for rational design of phase assemblages to obtain tailor‐made properties in ferroelectric polymer films.}, number={10}, journal={PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS}, author={Choi, Andrew C. and Pramanick, Abhijit and Misture, Scott T. and Paterson, Aliso R. and Jones, Jacob L. and Borkiewicz, Olaf C. and Ren, Yang}, year={2018}, month={Oct} }
 @article{choi_pramanick_misture_paterson_jones_borkiewicz_ren_2018, title={Polarization Mechanisms in P(VDF-TrFE) Ferroelectric Thin Films (Phys. Status Solidi RRL 10/2018)}, volume={12}, ISSN={1862-6254}, url={http://dx.doi.org/10.1002/PSSR.201870331}, DOI={10.1002/PSSR.201870331}, abstractNote={Ferroelectric polymers have gained tremendous attention in recent years due to several attractive properties including high breakdown strength, low dielectric loss, relatively fast charge/discharge rates and greater flexibility than their ceramic counterparts. However, knowledge of the microscopic mechanisms of polarization under applied electric fields remained unsatisfactory due to a lack of direct experimental insights. Pramanick et al. (article no. 1800340) used in situ synchrotron X-ray scattering experiment with 2D detection to identify the electric-field-induced polarization mechanisms in a P(VDF-TrFE) ferroelectric thin film. They show, in contrast to conventional viewpoint, that the susceptibility for electricfield-induced structural changes is larger in the defective ferroelectric phase γ than in the polar β phase. In addition, the polymer chains in the γ phase respond differently depending on their orientations with respect to the electric field direction. These results are broadly significant as they provide a fundamental basis for rational design of phase assemblages to obtain tailor-made properties in ferroelectric polymer films. In particular, it is shown convincingly for the first time that the promotion of large crystallites and γ phase content through thermal annealing in vacuum provides a cost-effective way to obtain a quasi-linear polarization response in ferroelectric polymers.}, number={10}, journal={physica status solidi (RRL) - Rapid Research Letters}, publisher={Wiley}, author={Choi, Andrew C. and Pramanick, Abhijit and Misture, Scott T. and Paterson, Alisa R. and Jones, Jacob L. and Borkiewicz, Olaf C. and Ren, Yang}, year={2018}, month={Oct}, pages={1870331} }
 @article{zhou_liu_williams_griffin_cress_rivas_rudy_polcawich_glaser_bassiri-gharb_et al._2018, title={Radiation-induced changes of vacancy-type defects in ferroelectric capacitors as revealed by Doppler broadening positron annihilation spectroscopy}, volume={124}, ISSN={["1089-7550"]}, DOI={10.1063/1.5045189}, abstractNote={Thin film ferroelectric capacitors of composition Pb(Zr0.52Ti0.48)O3 were exposed to Fe3+ radiation (1011 to 1013 ions/cm2), and the change in the defect structure was investigated by Doppler broadening positron annihilation spectroscopy and other characterization techniques. As the radiation fluence increases, a systematic drop of the S parameter of the positron annihilation photopeak is observed and attributed to an increase in the Zr- and Ti-site related vacancies relative to the Pb-sites. The results demonstrate that the radiation has a more significant influence on the Zr- and Ti-sites relative to the Pb-sites. It is also observed that the S parameter of the Mn-doped samples is higher than the undoped counterparts. Coupled with ferroelectricity measurements and X-ray diffraction, the results suggest that the Mn dopant modifies the initial structure of the material and leads to a different functional response.Thin film ferroelectric capacitors of composition Pb(Zr0.52Ti0.48)O3 were exposed to Fe3+ radiation (1011 to 1013 ions/cm2), and the change in the defect structure was investigated by Doppler broadening positron annihilation spectroscopy and other characterization techniques. As the radiation fluence increases, a systematic drop of the S parameter of the positron annihilation photopeak is observed and attributed to an increase in the Zr- and Ti-site related vacancies relative to the Pb-sites. The results demonstrate that the radiation has a more significant influence on the Zr- and Ti-sites relative to the Pb-sites. It is also observed that the S parameter of the Mn-doped samples is higher than the undoped counterparts. Coupled with ferroelectricity measurements and X-ray diffraction, the results suggest that the Mn dopant modifies the initial structure of the material and leads to a different functional response.}, number={24}, journal={JOURNAL OF APPLIED PHYSICS}, author={Zhou, Hanhan and Liu, Ming and Williams, Samuel C. and Griffin, Lee A. and Cress, Cory D. and Rivas, Manuel and Rudy, Ryan Q. and Polcawich, Ronald G. and Glaser, Evan R. and Bassiri-Gharb, Nazanin and et al.}, year={2018}, month={Dec} }
 @article{denis_esteves_walker_jones_trolier-mckinstry_2018, title={Thickness dependent response of domain wall motion in declamped {001} Pb(Zr0.3Ti0.7)O(3 )thin films}, volume={151}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2018.03.046}, abstractNote={Scaling effects were investigated in tetragonal {001} textured Pb(Zr0·3Ti0.7)O3 thin films doped with 2 mol% Nb over a thickness range of 0.27 μm–1.11 μm. Scaling effects refer to the size-induced degradation of properties at length scales exceeding those associated with the ferroelectric stability limit. The irreversible Rayleigh coefficient was found to be thickness-dependent, indicating suppression of the extrinsic contributions to the relative permittivity for all clamped films. Both defects in the seed layer and substrate clamping contributed to the observed thickness dependence. The influence of the seed layer on dielectric properties was accounted for using a capacitor in series model. After the films were partially declamped from the substrate, the irreversible contributions increased up to 23% in Nb-doped films and became more frequency dependent (by up to 29%). The suppressed frequency dependence in the clamped films was attributed to the pinning of irreversible domain walls active at lower frequencies. Both the seed layer and substrate clamping contributed to the pinning of irreversible domain walls.}, journal={ACTA MATERIALIA}, author={Denis, Lyndsey M. and Esteves, Giovanni and Walker, Julian and Jones, Jacob L. and Trolier-McKinstry, Susan}, year={2018}, month={Jun}, pages={243–252} }
 @article{usher_forrester_mcdonnell_neuefeind_page_peterson_levin_jones_2018, title={Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials}, volume={89}, ISSN={["1089-7623"]}, DOI={10.1063/1.5037609}, abstractNote={Characterizing the structural response of functional materials (e.g., piezoelectrics and ferroelectrics) to electric fields is key for the creation of structure-property relationships. Here, we present a new sample environment and data reduction routines which allow the measurement of time-of-flight neutron total scattering during the in situ or ex situ application of high voltage (<10 kV) to a sample. Instead of utilizing the entire detector space of the diffractometer, only selected regions of detector pixels with scattering at the desired angle to the sample electric field are interrogated, which allows the generation of orientation-dependent reciprocal space patterns and real-space pair distribution functions (PDFs). We demonstrate the method using the relaxor ferroelectric Na1/2Bi1/2TiO3 and observe lattice expansion parallel and contraction perpendicular to the electric field for both in situ and ex situ experiments, revealing the irreversible nature of the local scale structural changes to this composition. Additionally, changes in the distributions of nearest neighbor metal-oxygen bond lengths are observed, which have been difficult to observe in previously measured analogous orientation-dependent X-ray PDFs. Considerations related to sample positioning and background subtraction are discussed, and future research directions are suggested.}, number={9}, journal={REVIEW OF SCIENTIFIC INSTRUMENTS}, author={Usher, Tedi-Marie and Forrester, Jennifer S. and McDonnell, Marshall and Neuefeind, Joerg and Page, Katharine and Peterson, Peter F. and Levin, Igor and Jones, Jacob L.}, year={2018}, month={Sep} }
 @article{seshadri_nolan_tutuncu_forrester_sapper_esteves_granzow_thomas_nino_rojac_et al._2018, title={Unexpectedly high piezoelectricity of Sm-doped lead zirconate titanate in the Curie point region}, volume={8}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/S41598-018-22566-5}, DOI={10.1038/S41598-018-22566-5}, abstractNote={Large piezoelectric coefficients in polycrystalline lead zirconate titanate (PZT) are traditionally achieved through compositional design using a combination of chemical substitution with a donor dopant and adjustment of the zirconium to titanium compositional ratio to meet the morphotropic phase boundary (MPB). In this work, a different route to large piezoelectricity is demonstrated. Results reveal unexpectedly high piezoelectric coefficients at elevated temperatures and compositions far from the MPB. At temperatures near the Curie point, doping with 2 at% Sm results in exceptionally large piezoelectric coefficients of up to 915 pm/V. This value is approximately twice those of other donor dopants (e.g., 477 pm/V for Nb and 435 pm/V for La). Structural changes during the phase transitions of Sm-doped PZT show a pseudo-cubic phase forming ≈50 °C below the Curie temperature. Possible origins of these effects are discussed and the high piezoelectricity is posited to be due to extrinsic effects. The enhancement of the mechanism at elevated temperatures is attributed to the coexistence of tetragonal and pseudo-cubic phases, which enables strain accommodation during electromechanical deformation and interphase boundary motion. This work provides insight into possible routes for designing high performance piezoelectrics which are alternatives to traditional methods relying on MPB compositions.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Seshadri, Shruti B. and Nolan, Michelle M. and Tutuncu, Goknur and Forrester, Jennifer S. and Sapper, Eva and Esteves, Giovanni and Granzow, Torsten and Thomas, Pam A. and Nino, Juan C. and Rojac, Tadej and et al.}, year={2018}, month={Mar} }
 @article{iamsasri_guerrier_esteves_fancher_wilson_smith_paisley_johnson-wilke_ihlefeld_bassiri-gharb_et al._2017, title={A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials}, volume={50}, journal={Journal of Applied Crystallography}, author={Iamsasri, T. and Guerrier, J. and Esteves, G. and Fancher, C. M. and Wilson, A. G. and Smith, R. C. and Paisley, E. A. and Johnson-Wilke, R. and Ihlefeld, J. F. and Bassiri-Gharb, N. and et al.}, year={2017}, pages={211–220} }
 @article{park_schenk_fancher_grimley_zhou_richter_lebeau_jones_mikolajick_schroeder_2017, title={A comprehensive study on the structural evolution of HfO2 thin films doped with various dopants}, volume={5}, ISSN={["2050-7534"]}, DOI={10.1039/c7tc01200d}, abstractNote={The origin of the unexpected ferroelectricity in doped HfO2 thin films is now considered to be the formation of a non-centrosymmetric Pca21 orthorhombic phase. Due to the polycrystalline nature of the films as well as their extremely small thickness (∼10 nm) and mixed orientation and phase composition, structural analysis of doped HfO2 thin films remains a challenging task. As a further complication, the structural similarities of the orthorhombic and tetragonal phase are difficult to distinguish by typical structural analysis techniques such as X-ray diffraction. To resolve this issue, the changes in the grazing incidence X-ray diffraction (GIXRD) patterns of HfO2 films doped with Si, Al, and Gd are systematically examined. For all dopants, the shift of o111/t101 diffraction peak is observed with increasing atomic layer deposition (ALD) cycle ratio, and this shift is thought to originate from the orthorhombic to P42/nmc tetragonal phase transition with decreasing aspect ratio (2a/(b + c) for orthorhombic and c/a for the tetragonal phase). For quantitative phase analysis, Rietveld refinement is applied to the GIXRD patterns. A progressive phase transition from P21/c monoclinic to orthorhombic to tetragonal is confirmed for all dopants, and a strong relationship between orthorhombic phase fraction and remanent polarization value is uniquely demonstrated. The concentration range for the ferroelectric properties was the narrowest for the Si-doped HfO2 films. The dopant size is believed to strongly affect the concentration range for the ferroelectric phase stabilization, since small dopants can strongly decrease the free energy of the tetragonal phase due to their shorter metal–oxygen bonds.}, number={19}, journal={JOURNAL OF MATERIALS CHEMISTRY C}, author={Park, M. H. and Schenk, T. and Fancher, C. M. and Grimley, E. D. and Zhou, C. and Richter, C. and LeBeau, J. M. and Jones, J. L. and Mikolajick, T. and Schroeder, U.}, year={2017}, month={May}, pages={4677–4690} }
 @article{keech_ye_bosse_esteves_guerrier_jones_kuroda_huey_trolier-mckinstry_2017, title={Declamped Piezoelectric Coefficients in Patterned 70/30 Lead Magnesium Niobate-Lead Titanate Thin Films}, volume={27}, ISSN={1616-301X}, url={http://dx.doi.org/10.1002/ADFM.201605014}, DOI={10.1002/ADFM.201605014}, abstractNote={Lateral subdivision of blanket piezoelectric thin films increases the functional properties through both increased domain wall mobility and declamping of the intrinsic response. This work presents the local effects of substrate declamping on the piezoelectric coefficient d33,f of 300 nm thick, rhombohedral, {001}‐oriented lead magnesium niobate–lead titanate thin films at the 70/30 composition (70PMN–30PT). Films grown by chemical solution deposition on platinized Si substrates are patterned into strip structures ranging from 0.75 to 9 µm in width. The longitudinal piezoelectric coefficient, d33,f, is interrogated as a function of position across the patterned structures by three approaches: finite element modeling, piezoresponse force microscopy, and nanoprobe synchrotron X‐ray diffraction. It is found that d33,f increases from the clamped value of 40–50 to ≈160 pm V−1 at the free sidewall under 200 kV cm−1 excitation. The sidewalls partially declamp the piezoelectric response 500–600 nm into the patterned structure, raising the piezoelectric response at the center of features with lateral dimensions less than 1 µm (3:1 width to thickness aspect ratio). The normalized data from all three methods are in excellent agreement, with quantitative differences providing insight to the field dependence of the piezoelectric coefficient and its declamping behavior.}, number={9}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Keech, Ryan and Ye, Linghan and Bosse, James L. and Esteves, Giovanni and Guerrier, Jonathon and Jones, Jacob L. and Kuroda, Marcelo A. and Huey, Bryan D. and Trolier-McKinstry, Susan}, year={2017}, month={Jan}, pages={1605014} }
 @article{lomenzo_chung_zhou_jones_nishida_2017, title={Doped Hf0.5Zr0.5O2 for high efficiency integrated supercapacitors}, volume={110}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4985297}, DOI={10.1063/1.4985297}, abstractNote={Applications for integrated energy storage and pulse-power devices may have found opportunities in the emergence of the ferroelectric hafnium-zirconium oxide thin film system. To explore the boundaries of this material thin film system, 10 nm thick binary Hf0.5Zr0.5O2 (HZO) thin films are doped with Al or Si (Al or Si-doped HZO). The added dopants provide a distinct shift in behavior from ferroelectric to antiferroelectric characteristics. Si-doped Hf0.5Zr0.5O2 thin films exhibited a larger than 50 J/cm3 energy storage density with an efficiency of over 80%. The Si-doped Hf0.5Zr0.5O2 thin films were cycled 109 times up to 125 °C and maintained a robust 35 J/cm3 energy storage density and greater than 80% efficiency. Al-doped Hf0.5Zr0.5O2 thin films exhibited a larger switching field, leading to a smaller energy storage density and less robust cycling properties than Si-doped Hf0.5Zr0.5O2.}, number={23}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Lomenzo, Patrick D. and Chung, Ching-Chang and Zhou, Chuanzhen and Jones, Jacob L. and Nishida, Toshikazu}, year={2017}, month={Jun}, pages={232904} }
 @article{brewer_zhou_williams_rudy_rivas_polcawich_cress_glaser_paisley_ihlefeld_et al._2017, title={Effect of microstructure on irradiated ferroelectric thin films}, volume={121}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4987032}, DOI={10.1063/1.4987032}, abstractNote={This work investigates the role of microstructure on radiation-induced changes to the functional response of ferroelectric thin films. Chemical solution-deposited lead zirconate titanate thin films with columnar and equiaxed grain morphologies are exposed to a range of gamma radiation doses up to 10 Mrad and the resulting trends in functional response degradation are quantified using a previously developed phenomenological model. The observed trends of global degradation as well as local rates of defect saturation suggest strong coupling between ferroelectric thin film microstructure and material radiation hardness. Radiation-induced degradation of domain wall motion is thought to be the major contributor to the reduction in ferroelectric response. Lower rates of defect saturation are noted in samples with columnar grains, due to increased grain boundary density offering more sites to act as defect sinks, thus reducing the interaction of defects with functional material volume within the grain interior. R...}, number={24}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Brewer, Steven J. and Zhou, Hanhan and Williams, Samuel C. and Rudy, Ryan Q. and Rivas, Manuel and Polcawich, Ronald G. and Cress, Cory D. and Glaser, Evan R. and Paisley, Elizabeth A. and Ihlefeld, Jon F. and et al.}, year={2017}, month={Jun}, pages={244102} }
 @article{goetzee-barral_usher_stevenson_jones_levin_brown_bell_2017, title={Electric field dependent local structure of (KxNa1-x)(0.5)Bi0.5TiO3}, volume={96}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.96.014118}, abstractNote={The in situ X-ray Pair Distribution Function (PDF) characterisation technique has been used to study the behaviour of (Kx Na1-x)0.5 Bi0.5 TiO3, as a function of electric field. As opposed to conventional X-ray Bragg diffraction techniques, PDF is sensitive to local atomic displacements, detecting local structural changes at the Angstrom to nanometre scale. Several field-dependent ordering mechanisms can be observed in x = 0.15, 0.18 and at the morphotropic phase boundary (MPB) composition x = 0.20. X-ray total scattering shows suppression of diffuse scattering with increasing electric field amplitude, indicative of an increase in structural ordering. Analysis of PDF peaks in the 3-4 A range shows ordering of Bi-Ti distances parallel to the applied electric field, illustrated by peak amplitude redistribution parallel and perpendicular to the electric field vector. A transition from ‹110› to ‹112› type off-centre displacements of Bi relative to the neighbouring Ti atoms are observable with increasing x. Analysis of PDF peak shift with electric field show the effects of Bi-Ti redistribution and onset of piezoelectric lattice strain. The combination of these field-induced ordering mechanisms is consistent with local redistribution of Bi-Ti distances associated with domain reorientation and an overall increase in order of atomic displacements.}, number={1}, journal={PHYSICAL REVIEW B}, author={Goetzee-Barral, A. J. and Usher, T. -M. and Stevenson, T. J. and Jones, J. L. and Levin, I. and Brown, A. P. and Bell, A. J.}, year={2017}, month={Jul} }
 @article{esteves_fancher_roehrig_maier_jones_deluca_2017, title={Electric-field-induced structural changes in multilayer piezoelectric actuators during electrical and mechanical loading}, volume={132}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2017.04.014}, abstractNote={The effects of electrical and mechanical loading on the behavior of domains and phases in Multilayer Piezoelectric Actuators (MAs) is studied using in situ high-energy X-ray diffraction (XRD) and macroscopic property measurements. Rietveld refinement is carried out on measured diffraction patterns using a two-phase tetragonal (P4mm) and rhombohedral (R3m) model. Applying an electric field promotes the rhombohedral phase, while increasing compressive uniaxial pre-stress prior to electric field application favors the tetragonal phase. The competition between electrical and mechanical energy leads to a maximal difference between electric-field-induced phase fractions at 70 MPa pre-stress. Additionally, the available volume fraction of non-180° domain reorientation that can be accessed during electric field application increases with compressive pre-stress up to 70 MPa. The origin for enhanced strain and polarization with applied pre-stress is attributed to a combination of enhanced non-180° domain reorientation and electric-field-induced phase transitions. The suppression of both the electric-field-induced phase transitions and domain reorientation at high pre-stresses (>70 MPa) is attributed to a large mechanical energy barrier, and alludes to the competition of the electrical and mechanical energy within the MA during applied stimuli.}, journal={ACTA MATERIALIA}, author={Esteves, Giovanni and Fancher, Chris M. and Roehrig, Soeren and Maier, Guenther A. and Jones, Jacob L. and Deluca, Marco}, year={2017}, month={Jun}, pages={96–105} }
 @article{wang_chung_liu_jones_augustyn_2017, title={Electrochemical Intercalation of Mg2+ into Anhydrous and Hydrated Crystalline Tungsten Oxides}, volume={33}, ISSN={0743-7463 1520-5827}, url={http://dx.doi.org/10.1021/ACS.LANGMUIR.7B00705}, DOI={10.1021/ACS.LANGMUIR.7B00705}, abstractNote={The reversible intercalation of multivalent cations, especially Mg2+, into a solid-state electrode is an attractive mechanism for next-generation energy storage devices. These reactions typically exhibit poor kinetics due to a high activation energy for interfacial charge-transfer and slow solid-state diffusion. Interlayer water in V2O5 and MnO2 has been shown to improve Mg2+ intercalation kinetics in nonaqueous electrolytes. Here, the effect of structural water on Mg2+ intercalation in nonaqueous electrolytes is examined in crystalline WO3 and the related hydrated and layered WO3·nH2O (n = 1, 2). Using thin film electrodes, cyclic voltammetry, Raman spectroscopy, X-ray diffraction, and electron microscopy, the energy storage in these materials is determined to involve reversible Mg2+ intercalation. It is found that the anhydrous WO3 can intercalate up to ∼0.3 Mg2+ (75 mAh g-1) and can maintain the monoclinic structure for at least 50 cycles at a cyclic voltammetry sweep rate of 0.1 mV s-1. The kinetics of Mg2+ storage in WO3 are limited by solid-state diffusion, which is similar to its behavior in a Li+ electrolyte. On the other hand, the maximum capacity for Mg2+ storage in WO3·nH2O is approximately half that of WO3 (35 mAh g-1). However, the kinetics of both Mg2+ and Li+ storage in WO3·nH2O are primarily limited by the interface and are thus pseudocapacitive. The stability of the structural water in WO3·nH2O varies: the interlayer water of WO3·2H2O is removed upon exposure to a nonaqueous electrolyte, while the water directly coordinated to W is stable during electrochemical cycling. These results demonstrate that tungsten oxides are potential candidates for Mg2+ cathodes, that in these materials structural water can lead to improved Mg2+ kinetics at the expense of capacity, and that the type of structural water affects stability.}, number={37}, journal={Langmuir}, publisher={American Chemical Society (ACS)}, author={Wang, Ruocun and Chung, Ching-Chang and Liu, Yang and Jones, Jacob L. and Augustyn, Veronica}, year={2017}, month={Jul}, pages={9314–9323} }
 @article{mukherjee_hordagoda_pesquera_ghosh_jones_mukherejee_witanachchi_2017, title={Enhanced ferroelectric polarization in epitaxial (Pb1-xLax)(Zr0.52Ti0.48)O-3 thin films due to low La doping}, volume={95}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.95.174304}, abstractNote={Enhanced polarization is reported in ferroelectric $(\mathrm{P}{\mathrm{b}}_{1\ensuremath{-}x}\mathrm{L}{\mathrm{a}}_{x})(\mathrm{Z}{\mathrm{r}}_{0.52}\mathrm{T}{\mathrm{i}}_{0.48}){\mathrm{O}}_{3}$ (PLZT) thin films at low La doping concentrations. Epitaxial PLZT thin films with varying La concentrations were grown in both (001) and (111) crystallographic orientations using the conducting perovskite oxide $\mathrm{L}{\mathrm{a}}_{0.7}\mathrm{S}{\mathrm{r}}_{0.3}\mathrm{Mn}{\mathrm{O}}_{3}$ as the top and bottom electrodes on $\mathrm{SrTi}{\mathrm{O}}_{3}$ substrates by pulsed laser deposition. Dilute doping of La (0.1--0.5 at. %) was found to enhance the remanent polarizations in the PLZT films irrespective of their orientations. An increase in the remanent polarization by a factor of two is observed in the 0.5 at. % La doped PLZT thin film as compared to the undoped (Pb)$(\mathrm{Z}{\mathrm{r}}_{0.52}\mathrm{T}{\mathrm{i}}_{0.48}){\mathrm{O}}_{3}$ (PZT) film. The increase in polarization in the PLZT thin films was associated with the tetragonal distortion of the PLZT lattice due to the substitutional doping of La at the Pb sites, as evidenced from x-ray and microstructural analyses. Using the structural and polarization data, a linear correlation between the square of the remanent polarization and crystal-lattice distortion is obtained in the PLZT system, which corroborates with the Landau-Ginsburg-Devonshire thermodynamic model of lattice distortion-induced change in spontaneous polarization. This paper provides a novel route to enhance polarization in PLZT films, which is crucial for the coherent design of high-performance PZT-based ferroelectric and piezoelectric devices.}, number={17}, journal={PHYSICAL REVIEW B}, author={Mukherjee, Devajyoti and Hordagoda, Mahesh and Pesquera, David and Ghosh, Dipankar and Jones, Jacob L. and Mukherejee, Pritish and Witanachchi, Sarath}, year={2017}, month={May} }
 @article{otonicar_park_logar_esteves_jones_jancar_2017, title={External-field-induced crystal structure and domain texture in (1-x) Na0.5Bi0.5TiO3-xK(0.5)Bi(0.5)TiO(3) piezoceramics}, volume={127}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2017.01.052}, abstractNote={Lead-free perovskites based on Na0.5Bi0.5TiO3 (NBT) are being considered as viable alternatives to lead-containing piezoelectric materials. The piezoelectric response of morphotropic compositions of these bismuth-based piezoelectrics during the application of external stimuli are governed by an intrinsic local disorder, ferroelectric and antiferrodistortive instabilities, and domain texturing. Understanding the coupling between these mechanisms is of crucial importance for the development of new, environmentally friendly, piezoelectric materials. In this investigation we applied in-situ transmission electron microscopy and high-energy X-ray diffraction to study the changes in the crystal structure and domain texturing during the application of mechanical stresses and electric fields to the morphotropic composition of (1-x)Na0.5Bi0.5TiO3–xK0.5Bi0.5TiO3 (NBT-KBT) piezoceramics. It was found that the mechanisms involved largely depend on the materials' initial structural state and that phase transitions and domain texturing dominate the polarization- and strain-driven processes.}, journal={ACTA MATERIALIA}, author={Otonicar, M. and Park, J. and Logar, M. and Esteves, G. and Jones, J. L. and Jancar, B.}, year={2017}, month={Apr}, pages={319–331} }
 @article{tutuncu_forrester_chen_jones_2017, title={Extrinsic contributions to piezoelectric Rayleigh behavior in morphotropic PbTiO3 - SiScO3}, volume={137}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2017.07.032}, abstractNote={In situ, high-energy, time-resolved X-ray diffraction experiments are utilized to quantify contributions from non-180° domain wall motion to the macroscopic electromechanical coupling effect in the morphotropic phase boundary composition 0.64PbTiO3-0.36BiScO3 during the application of weak electric field amplitudes. Macroscopic piezoelectric coefficient measurements are compared with diffraction data. The results demonstrate a linear contribution of electric-field-amplitude-dependent non-180° domain wall motion at small field amplitudes, and therefore domain wall motion contributes directly to the Rayleigh behavior of piezoelectric coefficients.}, journal={ACTA MATERIALIA}, author={Tutuncu, G. and Forrester, J. S. and Chen, J. and Jones, J. L.}, year={2017}, month={Sep}, pages={45–53} }
 @article{batra_huan_jones_rossetti_ramprasad_2017, title={Factors Favoring Ferroelectricity in Hafnia: A First-Principles Computational Study}, volume={121}, ISSN={["1932-7447"]}, DOI={10.1021/acs.jpcc.6b11972}, abstractNote={The surprising ferroelectricity displayed by hafnia thin films has been attributed to a metastable polar orthorhombic (Pca21) phase. Nevertheless, the conditions under which this (or another competing) ferroelectric phase may be stabilized remain unresolved. It has been hypothesized that a variety of factors, including strain, grain size, electric field, impurities and dopants, may contribute to the observed ferroelectricity. Here, we use first-principles computations to examine the influence of mechanical and electrical boundary conditions (i.e., strain and electric field) on the relative stability of a variety of relevant nonpolar and polar phases of hafnia. We find that although strain or electric field, independently, do not lead to a ferroelectric phase, the combined influence of in-plane equibiaxial deformation and electric field results in the emergence of the polar Pca21 structure as the equilibrium phase. The results provide insights for better controlling the ferroelectric characteristics of haf...}, number={8}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Batra, Rohit and Huan, Tran Doan and Jones, Jacob L. and Rossetti, George, Jr. and Ramprasad, Rampi}, year={2017}, month={Mar}, pages={4139–4145} }
 @article{han_kim_lee_lee_pawar_jones_hong_ryu_song_kang_et al._2017, title={Few-layered metallic 1T-MoS2/TiO2 with exposed (001) facets: two-dimensional nanocomposites for enhanced photocatalytic activities}, volume={19}, ISSN={["1463-9084"]}, DOI={10.1039/c7cp05523d}, abstractNote={Titanium dioxide (TiO2) with exposed (001) facets (TiO2(001)) has attractive photocatalytic properties. However, the high recombination rate of the photo-excited charge carriers on this surface often limits its application. Here, we report that a few-layered 1T-MoS2 coating on TiO2(001) nanosheets (abbreviated as MST) can be a promising candidate that overcomes some of the challenges of TiO2(001). Computational and experimental results demonstrate that MST as a photocatalyst exhibits a significantly low-charge recombination rate as well as excellent long-term durability. The synthesized MST 2D nanocomposites show a 31.9% increase in photocatalytic activity for hydrogen (H2) production relative to the counterpart TiO2(001). MST offers a new route for further improvement of the photocatalytic activity of TiO2 with exposed high energy facets.}, number={41}, journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, author={Han, HyukSu and Kim, Kang Min and Lee, Chan-Woo and Lee, Caroline S. and Pawar, Rajendra C. and Jones, Jacob L. and Hong, Yu-Rim and Ryu, Jeong Ho and Song, Taeseup and Kang, Suk Hyun and et al.}, year={2017}, month={Nov}, pages={28207–28215} }
 @article{ciuchi_chung_fancher_guerrier_forrester_jones_mitoseriu_galassi_2017, title={Field-induced antiferroelectric to ferroelectric transitions in (Pb1-xLax)(Zr0.90Ti0.10)(1-x)/O-4(3) investigated by in situ X-ray diffraction}, volume={37}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2017.06.018}, abstractNote={Phase transitions and field-induced preferred orientation in (Pb1-xLax)(Zr0.90Ti0.10)1–x/4O3 (PLZT x/90/10) ceramics upon electric field cycling using in situ X-ray diffraction were studied. The evolution of the {200}pc and {111}pc diffraction line profiles indicate that PLZT 4/90/10 and PLZT 3/90/10 compositions undergo an antiferroelectric (AFE)–ferroelectric (FE) phase switching. Both PLZT 4/90/10 and PLZT 3/90/10 exhibit irreversible preferred orientation after experiencing the field-induced AFE-to-FE phase switching. An electric field-induced structure develops in both compositions which has a reversible character during the field decreasing in PLZT 4/90/10 and an irreversible character in PLZT 3/90/10. In addition, structural analysis of pre-poled PLZT 3/90/10 ceramics show that it is possible to induce consecutive FE-to-AFE and AFE-to-FE transitions when fields of reversed polarity are applied in sequence. The field range required to induce the AFE phase is broad, and the phase transition is kinetically slow. This kind of transition has rarely been reported before.}, number={15}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Ciuchi, I. V. and Chung, C. C. and Fancher, C. M. and Guerrier, J. and Forrester, J. S. and Jones, J. L. and Mitoseriu, L. and Galassi, C.}, year={2017}, month={Dec}, pages={4631–4636} }
 @article{yu_chung_shewmon_ho_carpenter_larrabee_sun_jones_ade_o'connor_et al._2017, title={Flexible Inorganic Ferroelectric Thin Films for Nonvolatile Memory Devices}, volume={27}, ISSN={1616-301X}, url={http://dx.doi.org/10.1002/ADFM.201700461}, DOI={10.1002/ADFM.201700461}, abstractNote={Next‐generation wearable electronics call for flexible nonvolatile devices for ubiquitous data storage. Thus far, only organic ferroelectric materials have shown intrinsic flexibility and processability on plastic substrates. Here, it is shown that by controlling the heating rate, ferroelectric hafnia films can be grown on plastic substrates. The resulting highly flexible capacitor with a film thickness of 30 nm yields a remnant polarization of 10 µC cm−2. Bending tests show that the film ferroelectricity can be retained under a bending radius below 8 mm with up to 1000 bending cycles. The excellent flexibility is due to the extremely thin hafnia film thickness. Using the ferroelectric film as a gate insulator, a low voltage nonvolatile vertical organic transistor is demonstrated on a plastic substrate with an extrapolated date retention time of up to 10 years.}, number={21}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Yu, Hyeonggeun and Chung, Ching-Chang and Shewmon, Nate and Ho, Szuheng and Carpenter, Joshua H. and Larrabee, Ryan and Sun, Tianlei and Jones, Jacob L. and Ade, Harald and O'Connor, Brendan T. and et al.}, year={2017}, month={Apr}, pages={1700461} }
 @article{huang_kim_hou_cann_jones_jiang_2017, title={Flexoelectric characterization of BaTiO3-0.08Bi(Zn1/2Ti1/2)O-3}, volume={110}, number={22}, journal={Applied Physics Letters}, author={Huang, S. J. and Kim, T. and Hou, D. and Cann, D. and Jones, J. L. and Jiang, X. N.}, year={2017} }
 @article{huang_kim_hou_cann_jones_jiang_2017, title={Flexoelectric characterization of BaTiO3-0.08Bi(Zn1/2Ti1/2)O3}, volume={110}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4984212}, DOI={10.1063/1.4984212}, abstractNote={Flexoelectricity, the linear coupling between the strain gradient and the induced electric polarization, has been widely studied as a substitution for piezoelectricity among ceramic lead-free materials. Its potential in micro/nano-scale sensing has especially gained attention, outweighing the performance of cutting edge lead-based piezoelectric materials. In this letter, the flexoelectric coefficient of lead-free ceramic BaTiO3-0.08Bi(Zn1/2Ti1/2)O3 (BT-8BZT) was investigated in the transverse mode. The thermal dependence of flexoelectricity in BT-8BZT was investigated at temperatures ranging from 25 °C to 200 °C, and the results were compared with those of BaxSr1-xTiO3 (BST) ceramics. The effective μ12 of BT-8BZT is ∼25 μC/m at room temperature and can remain as high as ∼13 μC/m at 200 °C. This result suggests that BT-8BZT can be effectively used for micro/nano-sensing within a broad range of temperatures.}, number={22}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Huang, Shujin and Kim, Taeyang and Hou, Dong and Cann, David and Jones, Jacob L. and Jiang, Xiaoning}, year={2017}, month={May}, pages={222904} }
 @article{hou_aksel_fancher_usher_hoshina_takeda_tsurumi_jones_2017, title={Formation of sodium bismuth titanatebarium titanate during solid-state synthesis}, volume={100}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14631}, abstractNote={Phase formation of sodium bismuth titanate (Na0.5Bi0.5TiO3 or NBT) and its solid solution with barium titanate (BaTiO3 or BT) during the calcination process is studied using in situ high-temperature diffraction. The reactant powders were mixed and heated to 1000°C, while X-ray diffraction patterns were recorded continuously. Phase evolutions from starting materials to final perovskite products are observed, and different transient phases are identified. The formation mechanism of NBT and NBT–xBT perovskite structures is discussed, and a reaction sequence is suggested based on the observations. The in situ study leads to a new processing approach, which is the use of nano-TiO2, and gives insights to the particle size effect for solid-state synthesis products. It was found that the use of nano-TiO2 as reactant powder accelerates the synthesis process, decreases the formation of transient phases, and helps to obtain phase-pure products using a lower thermal budget.}, number={4}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Hou, Dong and Aksel, Elena and Fancher, Chris M. and Usher, Tedi-Marie and Hoshina, Takuya and Takeda, Hiroaki and Tsurumi, Takaaki and Jones, Jacob L.}, year={2017}, month={Apr}, pages={1330–1338} }
 @article{baure_zhou_chung_stozhkova_jones_nino_2017, title={Grain orientation effects on the ionic conductivity of neodymia doped ceria thin films}, volume={133}, ISSN={["1873-2453"]}, DOI={10.1016/j.actamat.2017.05.030}, abstractNote={It is generally accepted that grain boundaries in the path of transport are detrimental to ionic conductivity. To delve deeper into the connection between grain boundaries and ionic transport, the relative orientations of the grains were determined using the transmission Kikuchi diffraction technique. Nanocrystalline (grain size ∼ 40 nm) neodymia doped ceria thin films grown via pulsed laser deposition amplify the effect of these intrinsic interfaces. In addition, this deposition technique allowed the growth of partially amorphous and columnar grained films. Further, the strength of the texture in the columnar grained films was modified by changing substrates. The in-plane impedance measurements were able to isolate the response of the film from the response of the electrode interface and confirmed the majority carriers were oxygen vacancies at low temperatures. The anionic conductivity improved as the strength of the texture in the films increased. The conductivity of the strongly textured films was 2 orders of magnitude higher than the conductivity of the randomly oriented ones between 300 and 400 °C. Also, the in-plane conductivity per grain was more than 3 orders of magnitude higher in the strongly textured film than in the poorly textured one indicating conductivity is not dependent on grain boundary density. IV measurements revealed that grain boundaries posed a potential barrier to anions in the poorly textured and randomly oriented films, but not in the strongly textured samples. The type of grain boundary was deemed a contributing factor. Boundaries between more misaligned grains were more resistive decreasing the total conductivity.}, journal={ACTA MATERIALIA}, author={Baure, George and Zhou, Hanhan and Chung, Ching-Chang and Stozhkova, Mariia A. and Jones, Jacob L. and Nino, Juan C.}, year={2017}, month={Jul}, pages={81–89} }
 @article{mangum_podowitz-thomas_nikkel_zhou_jones_2017, title={Investigating Pb diffusion across buried interfaces in Pb(Zr0.2Ti0.8)O-3 thin films via time-of-flight secondary ion mass spectrometry depth profiling}, volume={49}, ISSN={["1096-9918"]}, DOI={10.1002/sia.6255}, abstractNote={The diffusion of Pb through Pb(Zr0.2Ti0.8)O3(PZT)/Pt/Ti/SiO2/Si thin film heterostructures is studied by using time‐of‐flight secondary ion mass spectrometry depth profiling. The as‐deposited films initially contained 10 mol% Pb excess and were thermally processed at temperatures ranging from 325 to 700°C to promote Pb diffusion. The time‐of‐flight secondary ion mass spectrometry depth profiles show that increasing processing temperature promoted Pb diffusion from the PZT top film into the buried heterostructure layers. After processing at low temperatures (eg, 325°C), Pb+ counts were low in the Pt region. After processing at elevated temperatures (eg, 700°C), significant Pb+ counts were seen throughout the Pt layer and into the Ti and SiO2 layers. Intermediate processing temperatures (400, 475, and 500°C) resulted in Pb+ profiles consistent with this overall trend. Films processed at 400°C show a sharp peak in PtPb+ intensity at the PZT/Pt interface, consistent with prior reports of a Pt3Pb phase at this interface after processing at similar temperatures.}, number={10}, journal={SURFACE AND INTERFACE ANALYSIS}, author={Mangum, John S. and Podowitz-Thomas, Stephen and Nikkel, Jason and Zhou, Chuanzhen and Jones, Jacob L.}, year={2017}, month={Oct}, pages={973–977} }
 @article{zhao_hou_chung_yu_liu_li_jones_2017, title={Local structural behavior of PbZr0.5Ti0.5O3 during electric field application via in situ pair distribution function study}, volume={122}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.5010192}, DOI={10.1063/1.5010192}, abstractNote={The local structural behavior of PbZr0.5Ti0.5O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PDF refinement of the zero-field data suggests a local-structure model with [001] Ti-displacement and negligible Zr-displacement. The directional PDFs at different field amplitudes indicate the bond-length distribution of the nearest Pb-B (B = Zr/Ti) pair changes significantly with the field. The radial distribution functions (RDFs) of a model for polarization rotation were calculated. The calculated and the experimental RDFs are consistent. This result suggests the changes in Pb-B bond-length distribution could be dominantly caused by polarization rotation. Peak fitting of the experimental RDFs was also conducted. The peak position trends with increasing field are mostly in agreement with the ...}, number={17}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Zhao, Changhao and Hou, Dong and Chung, Ching-Chang and Yu, Yingying and Liu, Wenfeng and Li, Shengtao and Jones, Jacob L.}, year={2017}, month={Nov}, pages={174102} }
 @article{ochoa_levit_fancher_esteves_jones_garcia_2017, title={Low temperature dielectric relaxation in ordinary perovskite ferroelectrics: Enlightenment from high-energy x-ray diffraction}, volume={50}, number={20}, journal={Journal of Physics. D, Applied Physics}, author={Ochoa, D. A. and Levit, R. and Fancher, C. M. and Esteves, G. and Jones, J. L. and Garcia, J. E.}, year={2017} }
 @article{brewer_cress_williams_zhou_rivas_rudy_polcawich_glaser_jones_bassiri-gharb_2017, title={Phenomenological Model for Defect Interactions in Irradiated Functional Materials}, volume={7}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/S41598-017-05071-Z}, DOI={10.1038/S41598-017-05071-Z}, abstractNote={Abstract The ability to tailor the performance of functional materials, such as semiconductors, via careful manipulation of defects has led to extraordinary advances in microelectronics. Functional metal oxides are no exception – protonic-defect-conducting oxides find use in solid oxide fuel cells (SOFCs) and oxygen-deficient high-temperature superconductors are poised for power transmission and magnetic imaging applications. Similarly, the advantageous functional responses in ferroelectric materials that make them attractive for use in microelectromechanical systems (MEMS), logic elements, and environmental energy harvesting, are derived from interactions of defects with other defects (such as domain walls) and with the lattice. Chemical doping has traditionally been employed to study the effects of defects in functional materials, but complications arising from compositional heterogeneity often make interpretation of results difficult. Alternatively, irradiation is a versatile means of evaluating defect interactions while avoiding the complexities of doping. Here, a generalized phenomenological model is developed to quantify defect interactions and compare material performance in functional oxides as a function of radiation dose. The model is demonstrated with historical data from literature on ferroelectrics, and expanded to functional materials for SOFCs, mixed ionic-electronic conductors (MIECs), He-ion implantation, and superconductors. Experimental data is used to study microstructural effects on defect interactions in ferroelectrics.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Brewer, Steven J. and Cress, Cory D. and Williams, Samuel C. and Zhou, Hanhan and Rivas, Manuel and Rudy, Ryan Q. and Polcawich, Ronald G. and Glaser, Evan R. and Jones, Jacob L. and Bassiri-Gharb, Nazanin}, year={2017}, month={Jul} }
 @article{richter_schenk_park_tscharntke_grimley_lebeau_zhou_fancher_jones_mikolajick_et al._2017, title={Si Doped Hafnium Oxide-A “Fragile” Ferroelectric System}, volume={3}, ISSN={2199-160X}, url={http://dx.doi.org/10.1002/AELM.201700131}, DOI={10.1002/AELM.201700131}, abstractNote={Silicon doped hafnium oxide was the material used in the original report of ferroelectricity in hafnia in 2011. Since then, it has been subject of many further publications including the demonstration of the world's first ferroelectric field‐effect transistor in the state‐of‐the‐art 28 nm technology. Though many studies are conducted with a strong focus on application in memory devices, a comprehensive study on structural stability in these films remains to be seen. In this work, a film thickness of about 36 nm, instead of the 10 nm used in most previous studies, is utilized to carefully probe how the concentration range impacts the evolution of phases, the dopant distribution, the field cycling effects, and their interplay in the macroscopic ferroelectric response of the films. Si:HfO2 appears to be a rather fragile system: different phases seem close in energy and the system is thus rich in competing phenomena. Nonetheless, it offers ferroelectricity or field‐induced ferroelectricity for elevated annealing conditions up to 1000 °C. Similar to the measures taken for conventional ferroelectrics such as lead zirconate titanate, engineering efforts to guarantee stable interfaces and stoichiometry are mandatory to achieve stable performance in applications such as ferroelectric memories, supercapacitors, or energy harvesting devices.}, number={10}, journal={Advanced Electronic Materials}, publisher={Wiley}, author={Richter, Claudia and Schenk, Tony and Park, Min Hyuk and Tscharntke, Franziska A. and Grimley, Everett D. and LeBeau, James M. and Zhou, Chuanzhen and Fancher, Chris M. and Jones, Jacob L. and Mikolajick, Thomas and et al.}, year={2017}, month={Aug}, pages={1700131} }
 @article{chung_fancher_isaac_nikkel_hennig_jones_2017, title={Temperature dependence of field-responsive mechanisms in lead zirconate titanate}, volume={100}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14979}, abstractNote={Abstract An electric field loading stage was designed for use in a laboratory diffractometer that enables in situ investigations of the temperature dependence in the field response mechanisms of ferroelectric materials. The stage was demonstrated by measuring PbZr 1− x Ti x O 3 ( PZT ) based materials—a commercially available PZT and a 1% Nb‐doped PbZr 0.56 Ti 0.44 O 3 ( PZT 56/44)—over a temperature range of 25°C to 250°C. The degree of non‐180° domain alignment (η 002 ) of the PZT as a function of temperature was quantified. η 002 of the commercially available PZT increases exponentially with temperature, and was analyzed as a thermally activated process as described by the Arrhenius law. The activation energy for thermally activated domain wall depinning process in PZT was found to be 0.47 eV . Additionally, a field‐induced rhombohedral to tetragonal phase transition was observed 5°C below the rhombohedral‐tetragonal transition in PZT 56/44 ceramic. The field‐induced tetragonal phase fraction was increased 41.8% after electrical cycling. A large amount of domain switching (η 002 =0.45 at 1.75 kV/mm) was observed in the induced tetragonal phase.}, number={9}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Chung, Ching-Chang and Fancher, Chris M. and Isaac, Catherine and Nikkel, Jason and Hennig, Eberhard and Jones, Jacob L.}, year={2017}, month={Sep}, pages={4352–4361} }
 @article{hou_usher_zhou_raengthon_triamnak_cann_forrester_jones_2017, title={Temperature-induced local and average structural changes in BaTiO3−xBi(Zn1/2Ti1/2)O3solid solutions: The origin of high temperature dielectric permittivity}, volume={122}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4989393}, DOI={10.1063/1.4989393}, abstractNote={The existence of local tetragonal distortions is evidenced in the BaTiO3–xBi(Zn1/2Ti1/2)O3 (BT–xBZT) relaxor dielectric material system at elevated temperatures. The local and average structures of BT-xBZT with different compositions are characterized using in situ high temperature total scattering techniques. Using the box-car fitting method, it is inferred that there are tetragonal polar clusters embedded in a non-polar pseudocubic matrix for BT-xBZT relaxors. The diameter of these polar clusters is estimated as 2–3 nm at room temperature. Sequential temperature series fitting shows the persistence of the tetragonal distortion on the local scale, while the average structure transforms to a pseudocubic paraelectric phase at high temperatures. The fundamental origin of the temperature stable permittivity of BT-xBZT and the relationship with the unique local scale structures are discussed. This systematic structural study of the BT-xBZT system provides both insight into the nature of lead-free perovskite r...}, number={6}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Hou, Dong and Usher, Tedi-Marie and Zhou, Hanhan and Raengthon, Natthaphon and Triamnak, Narit and Cann, David P. and Forrester, Jennifer S. and Jones, Jacob L.}, year={2017}, month={Aug}, pages={064103} }
 @article{fancher_brewer_chung_röhrig_rojac_esteves_deluca_bassiri-gharb_jones_2017, title={The contribution of 180° domain wall motion to dielectric properties quantified from in situ X-ray diffraction}, volume={126}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/J.ACTAMAT.2016.12.037}, DOI={10.1016/J.ACTAMAT.2016.12.037}, abstractNote={The contribution of 180° domain wall motion to polarization and dielectric properties of ferroelectric materials has yet to be determined experimentally. In this paper, an approach for estimating the extent of (180°) domain reversal during application of electric fields is presented. We demonstrate this method by determining the contribution of domain reversal to polarization in soft lead zirconate titanate during application of strong electric fields. At the maximum applied field, domain reversal was determined to account for >80% of the measured macroscopic polarization. We also apply the method to quantify the contribution of domain reversal to the weak-field dielectric permittivity of BaTiO3. The results of this analysis determined that domain reversal accounts for up to ∼70% of the macroscopic dielectric permittivity in BaTiO3. These results demonstrate the predominance of domain reversal to high and low-field dielectric response in ferroelectric polycrystalline materials.}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Fancher, C.M. and Brewer, S. and Chung, C.C. and Röhrig, S. and Rojac, T. and Esteves, G. and Deluca, M. and Bassiri-Gharb, N. and Jones, J.L.}, year={2017}, month={Mar}, pages={36–43} }
 @misc{arutt_alles_liao_gong_davidson_schrimpf_reed_weller_bolotin_nicholl_et al._2017, title={The study of radiation effects in emerging micro and nano electro mechanical systems (M and NEMs)}, volume={32}, number={1}, journal={Semiconductor Science and Technology}, author={Arutt, C. N. and Alles, M. L. and Liao, W. J. and Gong, H. Q. and Davidson, J. L. and Schrimpf, R. D. and Reed, R. A. and Weller, R. A. and Bolotin, K. and Nicholl, R. and et al.}, year={2017} }
 @article{keech_morandi_wallace_esteves_denis_guerrier_johnson-wilke_fancher_jones_trolier-mckinstry_2017, title={Thickness-dependent domain wall reorientation in 70/30 lead magnesium niobate- lead titanate thin films}, volume={100}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14927}, abstractNote={Abstract Continued reduction in length scales associated with many ferroelectric film‐based technologies is contingent on retaining the functional properties as the film thickness is reduced. Epitaxial and polycrystalline lead magnesium niobate‐lead titanate (70 PMN ‐30 PT ) thin films were studied over the thickness range of 100‐350 nm for the relative contributions to property thickness dependence from interfacial and grain‐boundary low permittivity layers. Epitaxial PMN ‐ PT films were grown on SrRuO 3 /(001)SrTiO 3 , while polycrystalline films with {001}‐Lotgering factors >0.96 were grown on Pt/TiO 2 /SiO 2 /Si substrates via chemical solution deposition. Both film types exhibited similar relative permittivities of ~300 at high fields at all measured thicknesses with highly crystalline electrode/dielectric interfaces. These results, with the DC ‐biased and temperature‐dependent dielectric characterization, suggest irreversible domain wall mobility is the major contributor to the overall dielectric response and its thickness dependence. In epitaxial films, the irreversible Rayleigh coefficients reduced 85% upon decreasing thickness from 350 to 100 nm. The temperature at which a peak in the relative permittivity is observed was the only measured small signal quantity which was more thickness‐dependent in polycrystalline than epitaxial films. This is attributed to the relaxor nature present in the films, potentially stabilized by defect concentrations, and/or chemical inhomogeneity. Finally, the effective interfacial layers are found to contribute to the measured thickness dependence in the longitudinal piezoelectric coefficient.}, number={9}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Keech, Ryan and Morandi, Carl and Wallace, Margeaux and Esteves, Giovanni and Denis, Lyndsey and Guerrier, Jonathon and Johnson-Wilke, Raegan L. and Fancher, Chris M. and Jones, Jacob L. and Trolier-McKinstry, Susan}, year={2017}, month={Sep}, pages={3961–3972} }
 @article{iamsasri_esteves_choe_vogt_prasertpalichat_cann_gorfman_jones_2017, title={Time and frequency-dependence of the electric field-induced phase transition in BaTiO3-BiZn1/2Ti1/2O3}, volume={122}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4998163}, DOI={10.1063/1.4998163}, abstractNote={The time and frequency dependence of the electric field-induced phase transition in BaTiO3-BiZn1/2Ti1/2O3 was studied using in situ X-ray diffraction. The kinetics of the field-induced phase transition between cubic and tetragonal phases was described using a modified Kolmogorov-Avrami-Ishibashi (KAI) equation. Unlike previous works, for which some assumptions (e.g., unimodal and Gaussian) on the distribution of transition rates are needed, the present work utilized Bayesian inference and a Markov chain Monte Carlo algorithm to obtain the distribution of transition rates empirically without a priori assumption on the distribution. The results show that the transition rate coefficient increases as the frequency of applied field increases. The mean value of exponent n in the modified-KAI equation was close to 1, implying that the field-induced phase transition is site saturated and the growth of the induced phase occurred primarily from the surface.}, number={6}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Iamsasri, Thanakorn and Esteves, Giovanni and Choe, Hyeokmin and Vogt, Marco and Prasertpalichat, Sasiporn and Cann, David P. and Gorfman, Semën and Jones, Jacob L.}, year={2017}, month={Aug}, pages={064104} }
 @article{rudy_grove_rivas_guerrier_cress_benoit_jones_glaser_brewer_bassiri-gharb_et al._2017, title={Total ionizing dose effects on piezoelectric thin-film cantilevers with oxide electrodes}, volume={64}, DOI={10.1109/tuffc.2017.2703670}, abstractNote={This paper reports on the ionizing radiation effects in lead–zirconate–titanate (PZT) with varied top electrode material and bias condition during radiation. A technique to characterize the piezoelectric performance of films unclamped from the substrate is described, and used to demonstrate the effects of radiation on the material’s electromechanical behavior. Both platinum and iridium oxide top electrodes were examined, and iridium oxide appears to significantly mitigate radiation-induced damage that is observed in platinum top electrode samples. This mitigation of radiation damage is attributed to the reduced number of oxygen vacancies within the PZT films when an iridium oxide top electrode is used. Devices with applied bias during radiation were compared with devices under applied bias only. Applied bias appears to slightly enhance the electromechanical response in the negative bias polarity for irradiated platinum electrode samples suggesting that the bias can cause defects to orient and therefore improve electromechanical response. Ultimately, iridium oxide top electrodes appear to mitigate radiation damage.}, number={7}, journal={IEEE Transactions on Ultrasonics Ferroelectrics and Frequency Control}, author={Rudy, R. Q. and Grove, K. M. and Rivas, M. and Guerrier, J. and Cress, C. and Benoit, R. R. and Jones, J. L. and Glaser, E. and Brewer, S. and Bassiri-Gharb, N. and et al.}, year={2017}, pages={1135–1143} }
 @article{pan_chung_he_jones_gao_2016, title={Accelerated Thermal Decomposition of Graphene Oxide Films in Air via in Situ X-ray Diffraction Analysis}, volume={120}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.6b05031}, abstractNote={Thermal decomposition of graphene oxide (GO) has been extensively investigated in the past decade, but the detailed reaction kinetics remains elusive so far. Here we employ an in situ X-ray diffraction (XRD) analysis to clarify the kinetics of GO decomposition in different atmospheres and sample morphologies. The XRD peak (002), which is the major diffraction peak corresponding to the interlayer distance in GO samples, shifted from 11.5° to 23° along with significant decrease in intensity when samples were heated from 25 to 350 °C. The decomposition in air exhibits a higher reaction rate compared with that in pure nitrogen gases because the O2 molecules in air facilitate the oxidation of carbon atoms, leading to the evolution of CO and CO2. Free-standing films of GO also decompose significantly faster than GO powders, owing to their slower heat dissipation into the environment and higher thermal conductivity within the well-stacked lamella. This study has provided new insights into the reaction kinetics o...}, number={27}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Pan, Qin and Chung, Ching-Chang and He, Nanfei and Jones, Jacob L. and Gao, Wei}, year={2016}, month={Jul}, pages={14984–14990} }
 @article{khatua_lalitha_fancher_jones_ranjan_2016, title={Anomalous reduction in domain wall displacement at the morphotropic phase boundary of the piezoelectric alloy system PbTiO3-BiScO3}, volume={93}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.93.104103}, abstractNote={A comparative study of field-induced domain switching and lattice strain was carried out by in situ electric-field-dependent high-energy synchrotron x-ray diffraction on a morphotropic phase boundary (MPB) and a near-MPB rhombohedral/pseudomonoclinic composition of a high-performance piezoelectric alloy (1-x) PbTiO3-(x)BiScO3. It is demonstrated that the MPB composition showing large d(33) similar to 425 pC/N exhibits significantly reduced propensity of field-induced domain switching as compared to the non-MPB rhombohedral composition (d(33) similar to 260 pC/N). These experimental observations contradict the basic premise of the martensitic-theory-based explanation which emphasizes on enhanced domain wall motion as the primary factor for the anomalous piezoelectric response in MPB piezoelectrics. Our results favor field-induced structural transformation to be the primary mechanism contributing to the large piezoresponse of the critical MPB composition of this system.}, number={10}, journal={PHYSICAL REVIEW B}, author={Khatua, Dipak Kumar and Lalitha, K. and Fancher, Chris M. and Jones, Jacob L. and Ranjan, Rajeev}, year={2016}, month={Mar} }
 @article{khansur_benton_dinh_lee_jones_daniels_2016, title={Composition dependence of electric-field-induced structure of Bi-1/2(Na1-xKx)(1/2)TiO3 lead-free piezoelectric ceramics}, volume={119}, number={23}, journal={Journal of Applied Physics}, author={Khansur, N. H. and Benton, R. and Dinh, T. H. and Lee, J. S. and Jones, J. L. and Daniels, J. E.}, year={2016} }
 @article{khansur_benton_dinh_lee_jones_daniels_2016, title={Composition dependence of electric-field-induced structure of Bi1/2(Na1−xKx)1/2TiO3 lead-free piezoelectric ceramics}, volume={119}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4953641}, DOI={10.1063/1.4953641}, abstractNote={Microscopic origins of the electric-field-induced strain for three compositions of Bi1/2(Na1−xKx)1/2TiO3 (x = 0.14, 0.18, and 0.22) (BNKT100x) ceramics have been compared using in situ high-energy (87.12 keV) X-ray diffraction. In the as-processed state, average crystallographic structure of BNKT14 and BNKT18 were found to be of rhombohedral symmetry, while BNKT22 was tetragonal. Diffraction data collected under electric field showed that both the BNKT14 and BNKT18 exhibit induced lattice strain and non-180° ferroelectric domain switching without any apparent phase transformation. The BNKT22 composition, in addition to the lattice strain and domain switching, showed an electric-field-induced transformation from a tetragonal to mixed tetragonal-rhombohedral state. Despite the difference in the origin of microscopic strain responses in these compositions, the measured macroscopic poling strains of 0.46% (BNKT14), 0.43% (BNKT18), and 0.44% (BNKT22) are similar. In addition, the application of a second poling...}, number={23}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Khansur, Neamul H. and Benton, Rachel and Dinh, Thi Hinh and Lee, Jae-Shin and Jones, Jacob L. and Daniels, John E.}, year={2016}, month={Jun}, pages={234101} }
 @article{khatua_k. v._fancher_jones_ranjan_2016, title={Coupled domain wall motion, lattice strain and phase transformation in morphotropic phase boundary composition of PbTiO3-BiScO3 piezoelectric ceramic}, volume={120}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4964947}, DOI={10.1063/1.4964947}, abstractNote={High energy synchrotron X-ray diffraction, in situ with electric field, was carried out on the morphotropic phase boundary composition of the piezoelectric alloy PbTiO3-BiScO3. We demonstrate a strong correlation between ferroelectric-ferroelastic domain reorientation, lattice strain and phase transformation. We also show the occurrence of the three phenomena and persistence of their correlation in the weak field regime.}, number={15}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Khatua, Dipak Kumar and K. V., Lalitha and Fancher, Chris M. and Jones, Jacob L. and Ranjan, Rajeev}, year={2016}, month={Oct}, pages={154104} }
 @article{khatua_lalitha_fancher_jones_ranjan_2016, title={Coupled domain wall motion, lattice strain and phase transformation in morphotropic phase boundary composition of PbTiO3-BiScO3 piezoelectric ceramic}, volume={120}, number={15}, journal={Journal of Applied Physics}, author={Khatua, D. K. and Lalitha, K. V. and Fancher, C. M. and Jones, J. L. and Ranjan, R.}, year={2016} }
 @article{zoellner_stuart_chung_dougherty_jones_maggard_2016, title={CuNb1−xTaxO3 (x ≤ 0.25) solid solutions: impact of Ta(v) substitution and Cu(i) deficiency on their structure, photocatalytic, and photoelectrochemical properties}, volume={4}, ISSN={2050-7488 2050-7496}, url={http://dx.doi.org/10.1039/c5ta06609c}, DOI={10.1039/c5ta06609c}, abstractNote={Solid solutions of Cu(I)-containing oxide p-type semiconductors provide key opportunities to probe the fundamental relationships between chemical compositions and crystal structures, bandgap sizes, band energies, and photoelectrochemical properties. Members of the CuNb1−xTaxO3 (0 < x ≤ 0.25) solid solution have been synthesized via high temperature solid-state methods. The structure of CuNbO3 was found to be Cu-deficient Cu0.965NbO3 after heating in air at 250 °C for 3 hours, i.e., under similar conditions as those used to prepare it as a polycrystalline film. Powder X-ray diffraction techniques confirmed the purity of each composition up to x ≤ 0.25 and the lattice parameters were refined as the molar ratio of Nb(V) and Ta(V) was varied (a = 9.499 to 9.506 A, b = 8.439 to 8.451 A, c = 6.768 to 6.781 A and β = 90.847 to 90.694°). An increase in the amount of Ta(V) yielded a small blue shift of the bandgap size from ∼1.89 eV to ∼1.97 eV for CuNb1−xTaxO3 from x = 0 to 0.25. Polycrystalline films of each member of the CuNb1−xTaxO3 solid solutions produced relatively comparable p-type photocurrents of up to −0.5 mA cm−2, while the stability of the cathodic photocurrent also remained similar with increasing Ta(V) content. Mott–Schottky analysis of CuNb1−xTaxO3 showed that the conduction band edge of −1.5 (vs. SHE) provides a sufficient overpotential (∼800 mV) to drive the reduction of water to hydrogen gas at the surface. The capability of the solid solutions to drive hydrogen production was confirmed through suspended particle photocatalysis. Further characterization of the CuNb0.91Ta0.09O3 composition included scanning electron microscopy, X-ray photoelectron spectroscopy, and thermogravimetric analyses. These data show that Cu(I) is oxidized to Cu(II) as CuNb1−xTaxO3 is heated in air. Thus, the formation of Cu(II) rich regions at the surface, together with the Ta(V) content, are found to play important roles in the stability and magnitude of the cathodic photocurrents produced under visible-light irradiation. Importantly, these results demonstrate that solid solution compositions can be used in films for solar energy conversion, notwithstanding their inherent atomic disorder.}, number={8}, journal={Journal of Materials Chemistry A}, publisher={Royal Society of Chemistry (RSC)}, author={Zoellner, Brandon and Stuart, Sean and Chung, Ching-Chang and Dougherty, Daniel B. and Jones, Jacob L. and Maggard, Paul A.}, year={2016}, pages={3115–3126} }
 @article{beuerlein_kumar_usher_james brown-shaklee_raengthon_reaney_cann_jones_brennecka_2016, title={Current Understanding of Structure-Processing-Property Relationships in BaTiO3-Bi(M)O-3 Dielectrics}, volume={99}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14472}, abstractNote={As part of a continued push for high permittivity dielectrics suitable for use at elevated operating temperatures and/or large electric fields, modifications of BaTiO3 with Bi(M)O3, where M represents a net-trivalent B-site occupied by one or more species, have received a great deal of recent attention. Materials in this composition family exhibit weakly coupled relaxor behavior that is not only remarkably stable at high temperatures and under large electric fields, but is also quite similar across various identities of M. Moderate levels of Bi content (as much as 50 mol%) appear to be crucial to the stability of the dielectric response. In addition, the presence of significant Bi reduces the processing temperatures required for densification and increases the required oxygen content in processing atmospheres relative to traditional X7R-type BaTiO3-based dielectrics. Although detailed understanding of the structure–processing–property relationships in this class of materials is still in its infancy, this article reviews the current state of understanding of the mechanisms underlying the high and stable values of both relative permittivity and resistivity that are characteristic of BaTiO3-Bi(M)O3 dielectrics as well as the processing challenges and opportunities associated with these materials.}, number={9}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Beuerlein, Michaela A. and Kumar, Nitish and Usher, Tedi-Marie and James Brown-Shaklee, Harlan and Raengthon, Natthaphon and Reaney, Ian M. and Cann, David P. and Jones, Jacob L. and Brennecka, Geoff L.}, year={2016}, month={Sep}, pages={2849–2870} }
 @article{lin_chernatynskiy_nikkel_bulanadi_jones_nino_sinnott_2016, title={Diffusion Across M/Pb(Zr,Ti)O-3 Interfaces (M=Pt3Pb or Pt) Under Different System Conditions}, volume={99}, ISSN={["1551-2916"]}, DOI={10.1111/jace.13966}, abstractNote={Interfaces between functional ceramics, such as Pb(Zr0.5Ti0.5)O3 or PZT, and metal electrodes, such as Pt, are important for many devices. Maintaining an interface that is free of secondary phases is necessary for the efficient transfer of electrons and device function. However, there are instances where unstable transient phases form at the interface due to atomic diffusion, such as Pt3Pb. Here, we investigate the migration barriers for the diffusion of Pb across the PZT/Pt and PZT/Pt3Pb interfaces using density functional theory (DFT) and the climbing image nudge elastic band (c-NEB) method. Our calculation models take into account the influence of atmospheric conditions on Pb diffusion through the preferential stabilization of defects near the interface as a result of changes to the Pb and O chemical potentials. In addition, the PZT structures that are stable above and below the Curie temperature are considered. The migration barriers are predicted to be strongly dependent on atmospheric conditions and the phase of the PZT, tetragonal or cubic. In particular, an inversion of the Pb diffusion direction at the PZT/Pt interface is predicted to take place as the oxygen partial pressure increases. This prediction is confirmed by experimental in situ X-ray diffraction measurements of a PZT/Pt interface.}, number={1}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Lin, Fang-Yin and Chernatynskiy, Aleksandr and Nikkel, Jason and Bulanadi, Ralph and Jones, Jacob L. and Nino, Juan C. and Sinnott, Susan B.}, year={2016}, month={Jan}, pages={356–362} }
 @article{tutuncu_chen_fan_fancher_forrester_zhao_jones_2016, title={Domain wall and interphase boundary motion in (1−x)Bi(Mg0.5Ti0.5)O3–xPbTiO3 near the morphotropic phase boundary}, volume={120}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4959820}, DOI={10.1063/1.4959820}, abstractNote={Electric field-induced changes in the domain wall motion of (1−x)Bi(Mg0.5Ti0.5)O3–xPbTiO3 (BMT-xPT) near the morphotropic phase boundary (MPB) where x = 0.37 (BMT-37PT) and x = 0.38 (BMT-38PT), are studied by means of synchrotron x-ray diffraction. Through Rietveld analysis and profile fitting, a mixture of coexisting monoclinic (Cm) and tetragonal (P4mm) phases is identified at room temperature. Extrinsic contributions to the property coefficients are evident from electric-field-induced domain wall motion in both the tetragonal and monoclinic phases, as well as through the interphase boundary motion between the two phases. Domain wall motion in the tetragonal and monoclinic phases for BMT-37PT is larger than that of BMT-38PT, possibly due to this composition's closer proximity to the MPB. Increased interphase boundary motion was also observed in BMT-37PT. Lattice strain, which is a function of both intrinsic piezoelectric strain and elastic interactions of the grains (the latter originating from domain w...}, number={4}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Tutuncu, Goknur and Chen, Jun and Fan, Longlong and Fancher, Chris M. and Forrester, Jennifer S. and Zhao, Jianwei and Jones, Jacob L.}, year={2016}, month={Jul}, pages={044103} }
 @article{han_lee_ryu_kim_jones_lim_guillemet-fritsch_lee_mhin_2016, title={Effect of High Cobalt Concentration on Hopping Motion in Cobalt Manganese Spinel Oxide (CoxMn3-xO4, x >= 2.3)}, volume={120}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.6b01440}, abstractNote={Hopping motions in cobalt manganese spinel oxides with high cobalt concentration (CoxMn3–xO4, 2.3 ≤ x ≤ 2.7) are investigated in order to clarify the origin of unusual electrical behaviors as negative temperature coefficient (NTC) thermistors. Based on the resistance versus temperature (R–T) characteristics, hopping conduction mechanisms in MCO compounds (x = 2.3 and 2.5) are attributed to variable range hopping (VRH) motion with a parabolic distribution of the density of states (DOS) near the Fermi level. However, when Co content increases up to 2.7, transition in the hopping motion occurs from VRH to the nearest neighboring hopping (NNH) motion, which can be responsible for a huge increase of the resistance accompanied by decrease of the factor of thermal sensitivity (B value) in MCO compounds (x = 2.7). Also, hopping distance and activation energies for MCO (x = 2.3 and 2.5) compounds following VRH conduction are calculated as a function of temperature, indicating that higher B value observed in MCO (x...}, number={25}, journal={JOURNAL OF PHYSICAL CHEMISTRY C}, author={Han, HyukSu and Lee, Jae Seok and Ryu, Jeong Ho and Kim, Kang Min and Jones, Jacob L. and Lim, Jiun and Guillemet-Fritsch, Sophie and Lee, Han Chan and Mhin, Sungwook}, year={2016}, month={Jun}, pages={13667–13674} }
 @article{esteves_wallace_johnson-wilke_fancher_wilke_trolier-mckinstry_jones_2016, title={Effect of Mechanical Constraint on Domain Reorientation in Predominantly {111}-Textured Lead Zirconate Titanate Films}, volume={99}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14159}, abstractNote={Ferroelectric/ferroelastic domain reorientation was measured in 2.0 μm thick tetragonal {111}-textured PbZr0.30Ti0.70O3 thin films using synchrotron X-ray diffraction (XRD). Lattice strain from the peak shift in the 111 Bragg reflection and domain reorientation were quantified as a function of applied electric field amplitude. Domain reorientation was quantified through the intensity exchange between the 112 and 211 Bragg reflections. Results from three different film types are reported: dense films that are clamped to the substrate (as-processed), dense films that are partially released from the substrate, and films with 3% volume porosity. The highest amount of domain reorientation is observed in grains that are misoriented with respect to the {111} preferred (domain engineered) orientation. Relative to the clamped films, films that were released from the substrate or had porosity exhibited neither significant enhancement in domain reorientation nor in 111 lattice strain. In contrast, similar experiments on {100}-textured and randomly oriented films showed significant enhancement in domain reorientation in released and porous films. Therefore, {111}-textured films are less susceptible to changes in properties due to mechanical constraints because there is overall less domain reorientation in {111} films than in {100} films.}, number={5}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Esteves, Giovanni and Wallace, Margeaux and Johnson-Wilke, Raegan and Fancher, Chris M. and Wilke, Rudeger H. T. and Trolier-McKinstry, Susan and Jones, Jacob L.}, year={2016}, month={May}, pages={1802–1807} }
 @article{brewer_deng_callaway_paul_fisher_guerrier_rudy_polcawich_jones_glaser_et al._2016, title={Effect of top electrode material on radiation-induced degradation of ferroelectric thin film structures}, volume={120}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4955424}, DOI={10.1063/1.4955424}, abstractNote={The effects of gamma irradiation on the dielectric and piezoelectric responses of Pb[Zr0.52Ti0.48]O3 (PZT) thin film stacks were investigated for structures with conductive oxide (IrO2) and metallic (Pt) top electrodes. The samples showed, generally, degradation of various key dielectric, ferroelectric, and electromechanical responses when exposed to 2.5 Mrad (Si) 60Co gamma radiation. However, the low-field, relative dielectric permittivity, er, remained largely unaffected by irradiation in samples with both types of electrodes. Samples with Pt top electrodes showed substantial degradation of the remanent polarization and overall piezoelectric response, as well as pinching of the polarization hysteresis curves and creation of multiple peaks in the permittivity-electric field curves post irradiation. The samples with oxide electrodes, however, were largely impervious to the same radiation dose, with less than 5% change in any of the functional characteristics. The results suggest a radiation-induced chang...}, number={2}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Brewer, Steven J. and Deng, Carmen Z. and Callaway, Connor P. and Paul, McKinley K. and Fisher, Kenzie J. and Guerrier, Jonathon E. and Rudy, Ryan Q. and Polcawich, Ronald G. and Jones, Jacob L. and Glaser, Evan R. and et al.}, year={2016}, month={Jul}, pages={024101} }
 @article{ochoa_esteves_iamsasri_rubio-marcos_fernandez_garcia_jones_2016, title={Extensive domain wall contribution to strain in a (K,Na)NbO3-based lead-free piezoceramics quantified from high energy X-ray diffraction}, volume={36}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2016.03.022}, abstractNote={The origins of high piezoelectric properties in the lead-free (K,Na)NbO3-based tetragonal composition (K0.44Na0.52Li0.04)(Nb0.86Ta0.10Sb0.04)O3 (KNL-NTS) is investigated by quantifying the intrinsic and extrinsic contributions from high energy X-ray diffraction measurements. The applied methodology, which allows discerning between the intrinsic contribution, related to the field induced lattice distortion, and the extrinsic contributions, related to non-180° domain wall motion, is widely described in this work. The non-180° domain reorientation of the KNL-NTS piezoceramic is quantify from the integrated intensities of the 002 and 200 reflections obtained from line profile, while the shifts in peak position versus the applied electric field is used to obtain the lattice strain contribution. Large non-180° domain wall contribution to the electric field induced macroscopic strain (∼80% of the macroscopic strain) is verified in KNL-NTS.}, number={10}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Ochoa, Diego A. and Esteves, Giovanni and Iamsasri, Thanakorn and Rubio-Marcos, Fernando and Fernandez, Jose F. and Garcia, Jose E. and Jones, Jacob L.}, year={2016}, month={Aug}, pages={2489–2494} }
 @article{ochoa_esteves_jones_rubio-marcos_fernández_garcía_2016, title={Extrinsic response enhancement at the polymorphic phase boundary in piezoelectric materials}, volume={108}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4945593}, DOI={10.1063/1.4945593}, abstractNote={Polymorphic phase boundaries (PPBs) in piezoelectric materials have attracted significant interest in recent years, in particular, because of the unique properties that can be found in their vicinity. However, to fully harness their potential as micro-nanoscale functional entities, it is essential to achieve reliable and precise control of their piezoelectric response, which is due to two contributions known as intrinsic and extrinsic. In this work, we have used a (K,Na)NbO3-based lead-free piezoceramic as a model system to investigate the evolution of the extrinsic contribution around a PPB. X-ray diffraction measurements are performed over a wide range of temperatures in order to determine the structures and transitions. The relevance of the extrinsic contribution at the PPB region is evaluated by means of nonlinear dielectric response measurements. Though it is widely appreciated that certain intrinsic properties of ferroelectric materials increase as PPBs are approached, our results demonstrate that t...}, number={14}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Ochoa, Diego A. and Esteves, Giovanni and Jones, Jacob L. and Rubio-Marcos, Fernando and Fernández, José F. and García, José E.}, year={2016}, month={Apr}, pages={142901} }
 @article{esteves_fancher_wallace_johnson-wilke_wilke_trolier-mckinstry_polcawichc_jones_2016, title={In situ X-ray diffraction of lead zirconate titanate piezoMEMS cantilever during actuation}, volume={111}, ISSN={["1873-4197"]}, DOI={10.1016/j.matdes.2016.09.011}, abstractNote={Synchrotron X-ray diffraction (XRD) was used to probe the electric-field-induced response of a 500 nm lead zirconate titanate (52/48, Zr/Ti) (PZT) based piezoelectric microelectromechanical system (piezoMEMS) device. 90° ferroelectric/ferroelastic domain reorientation was observed in a cantilever comprised of a 500 nm thick PZT film on a 3 μm thick elastic layer composite of SiO2 and Si3N4. Diffraction data from sectors both parallel- and perpendicular-to-field showed the presence of ferroelastic texture, which is typically seen in in situ electric field diffraction studies of bulk tetragonal perovskite ferroelectrics. The fraction of domains reoriented into the field direction was quantified through the intensity changes of the 002 and 200 diffraction profiles. The maximum induced volume fraction calculated from the results was 20%, which is comparable to values seen in previous bulk and thin film ferroelectric diffraction studies. The novelty of the present work is that a fully released ferroelectric thin film device of micron scale dimensions (down to 60,000 μm3) was interrogated in situ with an applied electric field using synchrotron XRD. Furthermore, the experiment demonstrates that 90° ferroelectric/ferroelastic domain reorientation can be characterized in samples of such small dimensions.}, journal={MATERIALS & DESIGN}, author={Esteves, Giovanni and Fancher, Chris M. and Wallace, Margeaux and Johnson-Wilke, Raegan and Wilke, Rudeger H. T. and Trolier-McKinstry, Susan and Polcawichc, Ronald G. and Jones, Jacob L.}, year={2016}, month={Dec}, pages={429–434} }
 @article{usher_iamsasri_forrester_raengthon_triamnak_cann_jones_2016, title={Local and average structures of BaTiO3-Bi(Zn1/2Ti1/2)O-3}, volume={120}, number={18}, journal={Journal of Applied Physics}, author={Usher, T. M. and Iamsasri, T. and Forrester, J. S. and Raengthon, N. and Triamnak, N. and Cann, D. P. and Jones, J. L.}, year={2016} }
 @article{usher_iamsasri_forrester_raengthon_triamnak_cann_jones_2016, title={Local and average structures of BaTiO3-Bi(Zn1/2Ti1/2)O3}, volume={120}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4967222}, DOI={10.1063/1.4967222}, abstractNote={The complex crystallographic structures of (1−x)BaTiO3-xBi(Zn1/2Ti1/2)O3 (BT-xBZT) are examined using high resolution synchrotron X-ray diffraction, neutron diffraction, and neutron pair distribution function (PDF) analyses. The short-range structures are characterized from the PDFs, and a combined analysis of the X-ray and neutron diffraction patterns is used to determine the long-range structures. The results demonstrate that the structure appears different when averaged over different length scales. In all compositions, the local structures determined from the PDFs show local tetragonal distortions (i.e., c/a > 1). However, a box-car fitting analysis of the PDFs reveals variations at different length scales. For 0.80BT-0.20BZT and 0.90BT-0.10BZT, the tetragonal distortions decrease at longer atom-atom distances (e.g., 30 A vs. 5 A). When the longest distances are evaluated (r > 40 A), the lattice parameters approach cubic. Neutron and X-ray diffraction yield further information about the long-range str...}, number={18}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Usher, Tedi-Marie and Iamsasri, Thanakorn and Forrester, Jennifer S. and Raengthon, Natthaphon and Triamnak, Narit and Cann, David P. and Jones, Jacob L.}, year={2016}, month={Nov}, pages={184102} }
 @article{levin_krayzman_woicik_bridges_sterbinsky_usher_jones_torrejon_2016, title={Local structure in BaTiO3-BiScO3 dipole glasses}, volume={93}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.93.104106}, abstractNote={Local structures in cubic perovskite-type $(\mathrm{B}{\mathrm{a}}_{0.6}\mathrm{B}{\mathrm{i}}_{0.4})(\mathrm{T}{\mathrm{i}}_{0.6}\mathrm{S}{\mathrm{c}}_{0.4}){\mathrm{O}}_{3}$ solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-center displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of $4\phantom{\rule{0.16em}{0ex}}\mathrm{kV}\phantom{\rule{0.16em}{0ex}}\mathrm{m}{\mathrm{m}}^{\ensuremath{-}1}$.}, number={10}, journal={PHYSICAL REVIEW B}, author={Levin, I. and Krayzman, V. and Woicik, J. C. and Bridges, F. and Sterbinsky, G. E. and Usher, T-M. and Jones, J. L. and Torrejon, D.}, year={2016}, month={Mar} }
 @article{lin_chernatynskiy_nino_jones_hennig_sinnott_2016, title={Role of composition and structure on the properties of metal/multifunctional ceramic interfaces}, volume={120}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4959074}, DOI={10.1063/1.4959074}, abstractNote={The formation of intermetallic secondary phases, such as Pt3Pb, has been observed experimentally at PbTiO3/Pt and Pb(Zr,Ti)O3/Pt, or PZT/Pt, interfaces. Density functional theory calculations are used here to calculate the work of adhesion of these interfacial systems with and without the secondary intermetallic phase. The charge density maps of the interfaces reveal the electronic interactions at the interface and the impact of the secondary phase. In addition, Bader charge analysis provides a quantitative assessment of electron transfer from the perovskites to the Pt. Analysis of the band diagrams indicates an increase of the potential barrier associated with electron transfer due to the formation of the Pt3Pb at PZT/Pt interfaces.}, number={4}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Lin, Fang-Yin and Chernatynskiy, Aleksandr and Nino, Juan C. and Jones, Jacob L. and Hennig, Richard and Sinnott, Susan B.}, year={2016}, month={Jul}, pages={045310} }
 @article{ihlefeld_harris_keech_jones_maria_trolier-mckinstry_2016, title={Scaling Effects in Perovskite Ferroelectrics: Fundamental Limits and Process-Structure-Property Relations}, volume={99}, ISSN={["1551-2916"]}, DOI={10.1111/jace.14387}, abstractNote={Ferroelectric materials are well-suited for a variety of applications because they can offer a combination of high performance and scaled integration. Examples of note include piezoelectrics to transform between electrical and mechanical energies, capacitors used to store charge, electro-optic devices, and nonvolatile memory storage. Accordingly, they are widely used as sensors, actuators, energy storage, and memory components, ultrasonic devices, and in consumer electronics products. Because these functional properties arise from a noncentrosymmetric crystal structure with spontaneous strain and a permanent electric dipole, the properties depend upon physical and electrical boundary conditions, and consequently, physical dimension. The change in properties with decreasing physical dimension is commonly referred to as a size effect. In thin films, size effects are widely observed, whereas in bulk ceramics, changes in properties from the values of large-grained specimens is most notable in samples with grain sizes below several micrometers. It is important to note that ferroelectricity typically persists to length scales of about 10 nm, but below this point is often absent. Despite the stability of ferroelectricity for dimensions greater than ~10 nm, the dielectric and piezoelectric coefficients of scaled ferroelectrics are suppressed relative to their bulk counterparts, in some cases by changes up to 80%. The loss of extrinsic contributions (domain and phase boundary motion) to the electromechanical response accounts for much of this suppression. In this article, the current understanding of the underlying mechanisms for this behavior in perovskite ferroelectrics is reviewed. We focus on the intrinsic limits of ferroelectric response, the roles of electrical and mechanical boundary conditions, grain size and thickness effects, and extraneous effects related to processing. In many cases, multiple mechanisms combine to produce the observed scaling effects.}, number={8}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Ihlefeld, Jon F. and Harris, David T. and Keech, Ryan and Jones, Jacob L. and Maria, Jon-Paul and Trolier-McKinstry, Susan}, year={2016}, month={Aug}, pages={2537–2557} }
 @article{gorfman_simons_iamsasri_prasertpalichat_cann_choe_pietsch_watier_jones_2016, title={Simultaneous resonant x-ray diffraction measurement of polarization inversion and lattice strain in polycrystalline ferroelectrics}, volume={6}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/SREP20829}, DOI={10.1038/SREP20829}, abstractNote={Abstract Structure-property relationships in ferroelectrics extend over several length scales from the individual unit cell to the macroscopic device, and with dynamics spanning a broad temporal domain. Characterizing the multi-scale structural origin of electric field-induced polarization reversal and strain in ferroelectrics is an ongoing challenge that so far has obscured its fundamental behaviour. By utilizing small intensity differences between Friedel pairs due to resonant scattering, we demonstrate a time-resolved X-ray diffraction technique for directly and simultaneously measuring both lattice strain and, for the first time, polarization reversal during in-situ electrical perturbation. This technique is demonstrated for BaTiO 3 -BiZn 0.5 Ti 0.5 O 3 (BT-BZT) polycrystalline ferroelectrics, a prototypical lead-free piezoelectric with an ambiguous switching mechanism. This combines the benefits of spectroscopic and diffraction-based measurements into a single and robust technique with time resolution down to the ns scale, opening a new door to in-situ structure-property characterization that probes the full extent of the ferroelectric behaviour.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Gorfman, S. and Simons, H. and Iamsasri, T. and Prasertpalichat, S. and Cann, D. P. and Choe, H. and Pietsch, U. and Watier, Y. and Jones, J. L.}, year={2016}, month={Feb}, pages={20829} }
 @article{boltersdorf_zoellner_fancher_jones_maggard_2016, title={Single- and Double-Site Substitutions in Mixed-Metal Oxides: Adjusting the Band Edges Toward the Water Redox Couples}, volume={120}, ISSN={["1932-7455"]}, DOI={10.1021/acs.jpcc.6b05758}, abstractNote={New mixed-metal oxide solid solutions, i.e., the single-metal substituted Na2Ta4–yNbyO11 (0 ≤ y ≤ 4) and the double-metal substituted Na2–2xSnxTa4–yNbyO11 (0 ≤ y ≤ 4; 0 ≤ x ≤ 0.35), were investigated and used to probe the impact of composition on their crystalline structures, optical band gaps, band energies, and photocatalytic properties. The Na2Ta4O11 (y = 1) phase was prepared by flux-mediated synthesis, while the members of the Na2Ta4–yNbyO11 solid solution (1 ≤ y ≤ 4) were prepared by traditional high-temperature reactions. The Sn(II)-containing Na2–2xSnxTa4–yNbyO11 (0 ≤ y ≤ 4) solid solutions were prepared by flux-mediated ion-exchange reactions of the Na2Ta4–yNbyO11 solid solutions within a SnCl2 flux. The crystalline structures of both solid solutions are based on the parent Na2B4O11 (B = Nb, Ta) phases and consist of layers of edge-shared BO7 pentagonal bipyramids that alternate with layers of isolated BO6 octahedra surrounded by Na(I) cations. Rietveld refinements of the Na2Ta4–yNbyO11 solid sol...}, number={34}, journal={Journal of Physical Chemistry C}, author={Boltersdorf, J. and Zoellner, B. and Fancher, C. and Jones, J. and Maggard, P.A.}, year={2016}, month={Aug}, pages={19175–19188} }
 @article{kang_mhin_han_kim_jones_ryu_kang_kim_shim_2016, title={Ultrafast Method for Selective Design of Graphene Quantum Dots with Highly Efficient Blue Emission}, volume={6}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/SREP38423}, DOI={10.1038/SREP38423}, abstractNote={Graphene quantum dots (GQDs) have attractive properties and potential applications. However, their various applications are limited by a current synthetic method which requires long processing time. Here, we report a facile and remarkably rapid method for production of GQDs exhibiting excellent optoelectronic properties. We employed the pulsed laser ablation (PLA) technique to exfoliate GQDs from multi-wall carbon nanotube (MWCNTs), which can be referred to as a pulsed laser exfoliation (PLE) process. Strikingly, it takes only 6 min to transform all MWCNTs precursors to GQDs by using PLE process. Furthermore, we could selectively produce either GQDs or graphene oxide quantum dots (GOQDs) by simply changing the organic solvents utilized in the PLE processing. The synthesized GQDs show distinct blue photoluminescence (PL) with excellent quantum yield (QY) up to 12% as well as sufficient brightness and resolution to be suitable for optoelectronic applications. We believe that the PLE process proposed in this work will further open up new routes for the preparation of different optoelectronic nanomaterials.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Kang, Suk Hyun and Mhin, Sungwook and Han, Hyuksu and Kim, Kang Min and Jones, Jacob L. and Ryu, Jeong Ho and Kang, Ju Seop and Kim, Shin Hee and Shim, Kwang Bo}, year={2016}, month={Dec}, pages={38423} }
 @article{kang_mhin_han_kim_jones_ryu_kang_kim_shim_2016, title={Ultrafast method for selective design of graphene quantum dots with highly efficient blue emission}, volume={6}, journal={Scientific Reports}, author={Kang, S. H. and Mhin, S. and Han, H. and Kim, K. M. and Jones, J. L. and Ryu, J. H. and Kang, J. S. and Kim, S. H. and Shim, K. B.}, year={2016} }
 @article{fancher_han_levin_page_reich_smith_wilson_jones_2016, title={Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis}, volume={6}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/SREP31625}, DOI={10.1038/SREP31625}, abstractNote={A Bayesian inference method for refining crystallographic structures is presented. The distribution of model parameters is stochastically sampled using Markov chain Monte Carlo. Posterior probability distributions are constructed for all model parameters to properly quantify uncertainty by appropriately modeling the heteroskedasticity and correlation of the error structure. The proposed method is demonstrated by analyzing a National Institute of Standards and Technology silicon standard reference material. The results obtained by Bayesian inference are compared with those determined by Rietveld refinement. Posterior probability distributions of model parameters provide both estimates and uncertainties. The new method better estimates the true uncertainties in the model as compared to the Rietveld method.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Fancher, Chris M. and Han, Zhen and Levin, Igor and Page, Katharine and Reich, Brian J. and Smith, Ralph C. and Wilson, Alyson G. and Jones, Jacob L.}, year={2016}, month={Aug}, pages={31625} }
 @article{dycus_harris_sang_fancher_findlay_oni_chan_koch_jones_allen_et al._2015, title={Accurate Nanoscale Crystallography in Real-Space Using Scanning Transmission Electron Microscopy}, volume={21}, ISSN={["1435-8115"]}, DOI={10.1017/s1431927615013732}, abstractNote={Abstract Here, we report reproducible and accurate measurement of crystallographic parameters using scanning transmission electron microscopy. This is made possible by removing drift and residual scan distortion. We demonstrate real-space lattice parameter measurements with <0.1% error for complex-layered chalcogenides Bi2Te3, Bi2Se3, and a Bi2Te2.7Se0.3 nanostructured alloy. Pairing the technique with atomic resolution spectroscopy, we connect local structure with chemistry and bonding. Combining these results with density functional theory, we show that the incorporation of Se into Bi2Te3 causes charge redistribution that anomalously increases the van der Waals gap between building blocks of the layered structure. The results show that atomic resolution imaging with electrons can accurately and robustly quantify crystallography at the nanoscale.}, number={4}, journal={MICROSCOPY AND MICROANALYSIS}, author={Dycus, J. Houston and Harris, Joshua S. and Sang, Xiahan and Fancher, Chris M. and Findlay, Scott D. and Oni, Adedapo A. and Chan, Tsung-ta E. and Koch, Carl C. and Jones, Jacob L. and Allen, Leslie J. and et al.}, year={2015}, month={Aug}, pages={946–952} }
 @article{biancoli_fancher_jones_damjanovic_2015, title={Breaking of macroscopic centric symmetry in paraelectric phases of ferroelectric materials and implications for flexoelectricity}, volume={14}, ISSN={["1476-4660"]}, DOI={10.1038/nmat4139}, abstractNote={A centrosymmetric stress cannot induce a polar response in centric materials, piezoelectricity is, for example, possible only in non-centrosymmetric structures. An exception is meta-materials with shape asymmetry, which may be polarized by stress even when the material is centric. In this case the mechanism is flexoelectricity, which relates polarization to a strain gradient. The flexoelectric response scales inversely with size, thus a large effect is expected in nanoscale materials. Recent experiments in polycrystalline, centrosymmetric perovskites [e.g., (Ba,Sr)TiO3] have indicated values of flexoelectric coefficients that are orders of magnitude higher than theoretically predicted, promising practical applications based on bulk materials. We show that materials with unexpectedly large flexoelectric response exhibit breaking of the macroscopic centric symmetry through inhomogeneity induced by the high temperature processing. The emerging electro-mechanical coupling is significant and may help to resolve the controversy surrounding the large apparent flexoelectric coefficients in this class of materials.}, number={2}, journal={NATURE MATERIALS}, author={Biancoli, Alberto and Fancher, Chris M. and Jones, Jacob L. and Damjanovic, Dragan}, year={2015}, month={Feb}, pages={224–229} }
 @article{jones_lebeau_nikkel_oni_dycus_cozzan_lin_chernatynskiy_nino_sinnott_et al._2015, title={Combined Experimental and Computational Methods Reveal the Evolution of Buried Interfaces during Synthesis of Ferroelectric Thin Films}, volume={2}, ISSN={2196-7350}, url={http://dx.doi.org/10.1002/ADMI.201500181}, DOI={10.1002/ADMI.201500181}, abstractNote={Understanding interfaces between dissimilar materials is crucial to the development of modern technologies, for example, semiconductor–dielectric and thermoelectric–semiconductor interfaces in emerging electronic devices. However, the structural characterization of buried interfaces is challenging because many measurement techniques are surface sensitive by design. When interested in interface evolution during synthesis, the experimental challenges multiply and often necessitate in situ techniques. For solution‐derived lead zirconate titanate (PZT) ferroelectric thin films, the evolution of buried interfaces during synthesis (including dielectric–metal and metal–metal) is thought to dramatically influence the resultant dielectric and ferroelectric properties. In the present work, multiple experimental and computational methods are combined to characterize interface evolution during synthesis of ferroelectric PZT films on platinized Si wafers—including in situ X‐ray diffraction during thermal treatment, aberration‐corrected scanning transmission electron microscopy of samples quenched from various synthesis states, and calculations using density functional theory. Substantial interactions at buried interfaces in the PZT/Pt/Ti/SiO x /Si heterostructure are observed and discussed relative to their role(s) in the synthesis process. The results prove that perovskite PZT nucleates directly from the platinum (111)‐oriented bottom electrode and reveal the roles of Pb and O diffusion and intermetallic Pt3Pb and Pt3Ti phases.}, number={10}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Jones, Jacob L. and LeBeau, James M. and Nikkel, Jason and Oni, Adedapo A. and Dycus, J. Houston and Cozzan, Clayton and Lin, Fang-Yin and Chernatynskiy, Aleksandr and Nino, Juan C. and Sinnott, Susan B. and et al.}, year={2015}, month={Jun}, pages={1500181} }
 @article{iamsasri_tutuncu_uthaisar_wongsaenmai_pojprapai_jones_2015, title={Electric field-induced phase transitions in Li-modified Na0.5K0.5NbO3 at the polymorphic phase boundary}, volume={117}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4905613}, DOI={10.1063/1.4905613}, abstractNote={The electric field-induced phase transitions in Li-modified Na0.5K0.5NbO3 at the polymorphic phase boundary (PPB) were observed using in situ X-ray diffraction. The ratio of monoclinic to tetragonal phase fraction was used as an indicator of the extent and reversibility of the phase transitions. The reversibility of the phase transition was greater in compositions further from the PPB. These results demonstrate that the field-induced phase transition is one of the origins of high piezoelectric properties in lead-free ferroelectric materials.}, number={2}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Iamsasri, Thanakorn and Tutuncu, Goknur and Uthaisar, Chunmanus and Wongsaenmai, Supattra and Pojprapai, Soodkhet and Jones, Jacob L.}, year={2015}, month={Jan}, pages={024101} }
 @article{usher_levin_daniels_jones_2015, title={Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics}, volume={5}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/SREP14678}, DOI={10.1038/SREP14678}, abstractNote={Abstract The atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO 3 and Na ½ Bi ½ TiO 3 and dielectric SrTiO 3 . For Na ½ Bi ½ TiO 3 , the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO 3 and SrTiO 3 , the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Usher, Tedi-Marie and Levin, Igor and Daniels, John E. and Jones, Jacob L.}, year={2015}, month={Oct} }
 @article{rost_sachet_borman_moballegh_dickey_hou_jones_curtarolo_maria_2015, title={Entropy-stabilized oxides}, volume={6}, ISSN={2041-1723}, url={http://dx.doi.org/10.1038/NCOMMS9485}, DOI={10.1038/NCOMMS9485}, abstractNote={Abstract Configurational disorder can be compositionally engineered into mixed oxide by populating a single sublattice with many distinct cations. The formulations promote novel and entropy-stabilized forms of crystalline matter where metal cations are incorporated in new ways. Here, through rigorous experiments, a simple thermodynamic model, and a five-component oxide formulation, we demonstrate beyond reasonable doubt that entropy predominates the thermodynamic landscape, and drives a reversible solid-state transformation between a multiphase and single-phase state. In the latter, cation distributions are proven to be random and homogeneous. The findings validate the hypothesis that deliberate configurational disorder provides an orthogonal strategy to imagine and discover new phases of crystalline matter and untapped opportunities for property engineering.}, number={1}, journal={Nature Communications}, publisher={Springer Science and Business Media LLC}, author={Rost, Christina M. and Sachet, Edward and Borman, Trent and Moballegh, Ali and Dickey, Elizabeth C. and Hou, Dong and Jones, Jacob L. and Curtarolo, Stefano and Maria, Jon-Paul}, year={2015}, month={Sep} }
 @article{johnson-wilke_wilke_wallace_rajashekhar_esteves_merritt_jones_trolier-mckinstry_2015, title={Ferroelectric/Ferroelastic Domain Wall Motion in Dense and Porous Tetragonal Lead Zirconate Titanate Films}, volume={62}, ISSN={["1525-8955"]}, DOI={10.1109/tuffc.2014.006562}, abstractNote={Direct evidence of ferroelectric/ferroelastic domain reorientation is shown in Pb(Zr0.30Ti0.70)O3 (PZT30/70) thin films clamped to a rigid silicon substrate using in situ synchrotron X-ray diffraction during application of electric fields. Both dense films and films with 3 to 4 vol% porosity were measured. On application of electric fields exceeding the coercive field, it is shown that the porous films exhibit a greater volume fraction of ferroelastic domain reorientation (approximately 12 vol% of domains reorient at 3 times the coercive field, Ec) relative to the dense films (~3.5 vol% at 3Ec). Furthermore, the volume fraction of domain reorientation significantly exceeded that predicted by linear mixing rules. The high response of domain reorientation in porous films is discussed in the context of two mechanisms: local enhancement of the electric field near the pores and a reduction of substrate clamping resulting from the lowering of the film stiffness as a result of the porosity. Similar measurements during weak-field (subcoercive) amplitudes showed 0.6% volume fraction of domains reoriented for the porous films, which demonstrates that extrinsic effects contribute to the dielectric and piezoelectric properties.}, number={1}, journal={IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL}, author={Johnson-Wilke, Raegan L. and Wilke, Rudeger H. T. and Wallace, Margeaux and Rajashekhar, Adarsh and Esteves, Giovanni and Merritt, Zachary and Jones, Jacob L. and Trolier-McKinstry, Susan}, year={2015}, month={Jan}, pages={46–55} }
 @article{k. v._fancher_jones_ranjan_2015, title={Field induced domain switching as the origin of anomalous lattice strain along non-polar direction in rhombohedral BiScO3-PbTiO3 close to the morphotropic phase boundary}, volume={107}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4927678}, DOI={10.1063/1.4927678}, abstractNote={The lattice strain and domain switching behavior of xBiScO(3)-(1-x) PbTiO3 (x = 0.40) was investigated as a function of cyclic field and grain orientation by in situ X-ray diffraction during application of electric fields. The electric field induced 200 lattice strain was measured to be five times larger than the 111 lattice strain in pseudorhombohedral xBiScO(3)-(1-x) PbTiO3 (x = 0.40). It is shown that the anomalous 200 lattice strain is not an intrinsic phenomenon, but arises primarily due to stress associated with the reorientation of the 111 domains in dense polycrystalline ceramic. (C) 2015 AIP Publishing LLC.}, number={5}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={K. V., Lalitha and Fancher, Chris M. and Jones, Jacob L. and Ranjan, Rajeev}, year={2015}, month={Aug}, pages={052901} }
 @article{lalitha_fancher_jones_ranjan_2015, title={Field induced domain switching as the origin of anomalous lattice strain along non-polar direction in rhombohedral BiScO3-PbTiO3 close to the morphotropic phase boundary}, volume={107}, number={5}, journal={Applied Physics Letters}, author={Lalitha, K. V. and Fancher, C. M. and Jones, J. L. and Ranjan, R.}, year={2015} }
 @article{dycus_harris_sang_fancher_findlay_oni_chan_koch_jones_allen_et al._2015, title={Highly Accurate Real Space Nanometrology Using Revolving Scanning Transmission Electron Microscopy}, volume={21}, ISSN={1431-9276 1435-8115}, url={http://dx.doi.org/10.1017/S1431927615012003}, DOI={10.1017/S1431927615012003}, abstractNote={, Accurately determining crystallography at the nanoscale provides key understanding of materials behavior. X-ray and neutron based diffraction methods provide highly accurate and precise measurements, but are typically limited in their application for nanoscale materials by poor spatial sensitivity. On the other hand, scanning transmission electron microscopy (STEM) is capable of spatial resolutions below an angstrom, making atomic scale analysis routine. Moreover, high-angle annular dark-field STEM produces images that are directly interpretable with intensities scaling to the atomic number and total number of atoms in a column [1-2]. While, real-space distance measurements are possible with STEM, the effects of thermal drift and scan distortion hinder accurate metrology. In this talk, we will combine revolving STEM (RevSTEM) with a method for scan distortion correction to show accurate and precise real space length measurements for a nanostructured Bi 2 Te 3-x Se x alloy. We will show the effects of thermal drift can be corrected via measuring the drift parameters from multiple frames in an image series [3]. B y using <100> silicon as a reference standard, we correct the effects from distortions introduced from the scan system, which can then be used for imaging samples of unknown crystallography. The atom columns in drift corrected image series are then indexed and assigned to a matrix representation, which yields information such as the lattice parameters on a unit cell-by-unit cell basis, shown in Figure 1a [4]. To validate the accuracy of the technique, samples of pure Bi 2 Te 3 and Bi 2 Se}, number={S3}, journal={Microscopy and Microanalysis}, publisher={Cambridge University Press (CUP)}, author={Dycus, J. H. and Harris, J. S. and Sang, X. and Fancher, C. M. and Findlay, S. D. and Oni, A. A. and Chan, T. E. and Koch, C. C. and Jones, J. L. and Allen, L. J. and et al.}, year={2015}, month={Aug}, pages={2245–2246} }
 @misc{esteves_fancher_jones_2015, title={In situ characterization of polycrystalline ferroelectrics using x-ray and neutron diffraction}, volume={30}, ISSN={["2044-5326"]}, DOI={10.1557/jmr.2014.302}, abstractNote={X-ray and neutron diffraction are particularly useful for characterizing ferroelectric materials in situ, e.g., during application of temperature, pressure, electric field, and stress. In this review, we introduce many experimental approaches for such measurements and highlight important discoveries in ferroelectrics that utilized diffraction. We focus our examples on polycrystalline ferroelectrics, though many of the approaches and analysis methods can also be applied to thin films and single crystals. Methods discussed for characterization of structure include, phase identification, line profile analysis, whole pattern fitting, pair distribution functions, and the x-ray diffraction based three-dimensional microscopy. Further advancement of these and other techniques offers potential for continued important contributions to the fundamental understanding of ferroelectric materials.}, number={3}, journal={JOURNAL OF MATERIALS RESEARCH}, author={Esteves, Giovanni and Fancher, Chris M. and Jones, Jacob L.}, year={2015}, month={Feb}, pages={340–356} }
 @article{wallace_johnson-wilke_esteves_fancher_wilke_jones_trolier-mckinstry_2015, title={In situ measurement of increased ferroelectric/ferroelastic domain wall motion in declamped tetragonal lead zirconate titanate thin films}, volume={117}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4907394}, DOI={10.1063/1.4907394}, abstractNote={Ferroelectric/ferroelastic domain reorientation was measured in a 1.9 μm thick tetragonal {001} oriented PbZr0.3Ti0.7O3 thin film doped with 1% Mn under different mechanical boundary constraints. Domain reorientation was quantified through the intensity changes in the 002/200 Bragg reflections as a function of applied electric field. To alter the degree of clamping, films were undercut from the underlying substrate by 0%, ∼25%, ∼50%, or ∼75% of the electrode area. As the amount of declamping from the substrate increased from 0% to ∼75%, the degree of ferroelectric/ferroelastic domain reorientation in the films increased more than six fold at three times the coercive field. In a film that was ∼75% released from the substrate, approximately 26% of 90° domains were reoriented under the maximum applied field; this value for domain reorientation compares favorably to bulk ceramics of similar compositions. An estimate for the upper limit of 90° domain reorientation in a fully released film under these condition...}, number={5}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Wallace, M. and Johnson-Wilke, R. L. and Esteves, G. and Fancher, C. M. and Wilke, R. H. T. and Jones, J. L. and Trolier-McKinstry, S.}, year={2015}, month={Feb}, pages={054103} }
 @article{lomenzo_takmeel_zhou_chung_moghaddam_jones_nishida_2015, title={Mixed Al and Si doping in ferroelectric HfO2 thin films}, volume={107}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4937588}, DOI={10.1063/1.4937588}, abstractNote={Ferroelectric HfO2 thin films 10 nm thick are simultaneously doped with Al and Si. The arrangement of the Al and Si dopant layers within the HfO2 greatly influences the resulting ferroelectric properties of the polycrystalline thin films. Optimizing the order of the Si and Al dopant layers led to a remanent polarization of ∼20 μC/cm2 and a coercive field strength of ∼1.2 MV/cm. Post-metallization anneal temperatures from 700 °C to 900 °C were used to crystallize the Al and Si doped HfO2 thin films. Grazing incidence x-ray diffraction detected differences in peak broadening between the mixed Al and Si doped HfO2 thin films, indicating that strain may influence the formation of the ferroelectric phase with variations in the dopant layering. Endurance characteristics show that the mixed Al and Si doped HfO2 thin films exhibit a remanent polarization greater than 15 μC/cm2 up to 108 cycles.}, number={24}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Lomenzo, Patrick D. and Takmeel, Qanit and Zhou, Chuanzhen and Chung, Ching-Chang and Moghaddam, Saeed and Jones, Jacob L. and Nishida, Toshikazu}, year={2015}, month={Dec}, pages={242903} }
 @article{fancher_zhao_nelson_bai_shen_jones_2015, title={Pressure-induced structures of Si-doped HfO2}, volume={117}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4922717}, DOI={10.1063/1.4922717}, abstractNote={The effect of hydrostatic pressure on the structure of Si-doped HfO2 (Si:HfO2) was studied by using a diamond anvil cell in combination with high-energy X-ray diffraction at a synchrotron source. Diffraction data were measured in situ during compression up to pressures of 31 GPa. Si:HfO2 with 3, 5, and 9 at. % Si were found to undergo a monoclinic to orthorhombic transition at pressures between 7 and 15 GPa. Whole pattern analysis was carried out using nonpolar (Pbca) and polar (Pca21) crystallographic models to investigate the symmetry of the observed high-pressure orthorhombic phase. Rietveld refinement results cannot discriminate a reliable difference between the Pbca and Pca21 structures as they nearly equally model the measured diffraction data. The pressure dependent lattice parameters, relative volume, and spontaneous strain are reported.}, number={23}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Fancher, Chris M. and Zhao, Lili and Nelson, Matthew and Bai, Ligang and Shen, Guoyin and Jones, Jacob L.}, year={2015}, month={Jun}, pages={234102} }
 @article{hou_fancher_zhao_esteves_jones_2015, title={Processing and crystallographic structure of non-equilibrium Si-doped HfO2}, volume={117}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4923023}, DOI={10.1063/1.4923023}, abstractNote={Si-doped HfO2 was confirmed to exist as a non-equilibrium state. The crystallographic structures of Si-doped HfO2 were studied using high-resolution synchrotron X-ray diffraction and the Rietveld refinement method. Incorporation of Si into HfO2 and diffusion of Si out of (Hf,Si)O2 were determined as a function of calcination temperature. Higher thermal energy input at elevated calcination temperatures resulted in the formation of HfSiO4, which is the expected major secondary phase in Si-doped HfO2. The effect of SiO2 particle size (nano- and micron-sized) on the formation of Si-doped HfO2 was also determined. Nano-crystalline SiO2 was found to incorporate into HfO2 more readily.}, number={24}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Hou, Dong and Fancher, Chris M. and Zhao, Lili and Esteves, Giovanni and Jones, Jacob L.}, year={2015}, month={Jun}, pages={244103} }
 @article{roehrig_krautgasser_bermejo_jones_supancic_deluca_2015, title={Quantification of crystalline texture in ferroelectric materials by polarized Raman spectroscopy using Reverse Monte Carlo modelling}, volume={35}, ISSN={["1873-619X"]}, DOI={10.1016/j.jeurceramsoc.2015.08.003}, abstractNote={A Reverse Monte Carlo (RMC) model for the quantification of the crystalline texture in ferroelectric/ferroelastic ceramics based on polarized Raman spectroscopy (PRS) measurements has been developed and compared with analytical fitting approaches. We demonstrate, also by validation with PRS experiments on ferroelectric samples with different texture degrees, that the RMC model is more effective in reproducing physical features, including the saturated domain state. The versatility of the RMC model opens new possibilities for texture studies by PRS, and can be in principle applied to any kind of Raman-active material.}, number={15}, journal={JOURNAL OF THE EUROPEAN CERAMIC SOCIETY}, author={Roehrig, Soeren and Krautgasser, Clemens and Bermejo, Raul and Jones, Jacob L. and Supancic, Peter and Deluca, Marco}, year={2015}, month={Dec}, pages={4321–4325} }
 @article{mhin_nittala_cozzan_kim_robinson_sanchez_polcawich_jones_2015, title={Role of the PbTiO3 Seed Layer on the Crystallization Behavior of PZT Thin Films}, volume={98}, ISSN={["1551-2916"]}, DOI={10.1111/jace.13468}, abstractNote={The role of a highly crystalline and oriented lead titanate (PTO) seed layer on the subsequent phase and texture evolution of lead zirconate titanate (PZT) thin films is investigated in situ using X-ray diffraction (XRD) during crystallization. Crystalline PTO seed layers were first prepared via a 2-methoxyethanol route. Amorphous PZT with a Zr/Ti ratio of 52/48 was then deposited on the seed layer using the same synthesis route and subsequently crystallized in situ during XRD. During heating, a tetragonal-to-cubic transformation of the seed layer occurs prior to the formation of perovskite PZT. Subsequent nucleation of the crystalline PZT occurs in the cubic phase. Simultaneous to nucleation of PZT, development of a dominant 100 texture component was observed in the PZT phase of the thin films. The results indicate that 100 textured PTO nucleates 100 texture of PZT thin films during crystallization.}, number={5}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Mhin, Sungwook and Nittala, Krishna and Cozzan, Clayton and Kim, Kyeongwon and Robinson, Douglas S. and Sanchez, Luz M. and Polcawich, Ronald G. and Jones, Jacob L.}, year={2015}, month={May}, pages={1407–1412} }
 @article{zhao_hou_usher_iamsasri_fancher_forrester_nishida_moghaddam_jones_2015, title={Structure of 3 at.% and 9 at.% Si-doped HfO2 from combined refinement of X-ray and neutron diffraction patterns}, volume={646}, ISSN={["1873-4669"]}, DOI={10.1016/j.jallcom.2015.06.084}, abstractNote={The crystal structure of 3 at.% and 9 at.% Si-doped HfO2 powder was determined through refinements using X-ray and neutron diffraction patterns. The lattice parameters, atomic positions, dopant occupancy, and the second phase fraction were determined with high precision using a combined full pattern fitting via the Rietveld method. The results show that both 3 at.% and 9 at.% Si-doped HfO2 powder exhibit the monoclinic crystal structure with P 1 21/c 1 space group. Through the combined refinement, the crystal structure parameters, especially for the positions and occupancies of the lighter atoms, were more precisely determined compared to independent X-ray diffraction refinement. Although the ionic radius of Si4+ is smaller than Hf4+, with increasing Si occupancy, the unit cell volume slightly increases; possible mechanisms for this effect are discussed. Moreover, the refined results provide evidence of the existence of a non-equilibrium phase of HfxSi1−xO2. The second phase (SiO2) fraction is determined as 0.17 at.% for 3 at.% Si-doped HfO2 powders and 1.7 at.% for 9 at.% Si-doped HfO2 powders.}, journal={JOURNAL OF ALLOYS AND COMPOUNDS}, author={Zhao, Lili and Hou, Dong and Usher, Tedi-Marie and Iamsasri, Thanakorn and Fancher, Chris M. and Forrester, Jennifer S. and Nishida, Toshikazu and Moghaddam, Saeed and Jones, Jacob L.}, year={2015}, month={Oct}, pages={655–661} }
 @article{lomenzo_takmeel_zhou_fancher_lambers_rudawski_jones_moghaddam_nishida_2015, title={TaN interface properties and electric field cycling effects on ferroelectric Si-doped HfO2 thin films}, volume={117}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4916715}, DOI={10.1063/1.4916715}, abstractNote={Ferroelectric HfO2-based thin films, which can exhibit ferroelectric properties down to sub-10 nm thicknesses, are a promising candidate for emerging high density memory technologies. As the ferroelectric thickness continues to shrink, the electrode-ferroelectric interface properties play an increasingly important role. We investigate the TaN interface properties on 10 nm thick Si-doped HfO2 thin films fabricated in a TaN metal-ferroelectric-metal stack which exhibit highly asymmetric ferroelectric characteristics. To understand the asymmetric behavior of the ferroelectric characteristics of the Si-doped HfO2 thin films, the chemical interface properties of sputtered TaN bottom and top electrodes are probed with x-ray photoelectron spectroscopy. Ta-O bonds at the bottom electrode interface and a significant presence of Hf-N bonds at both electrode interfaces are identified. It is shown that the chemical heterogeneity of the bottom and top electrode interfaces gives rise to an internal electric field, whic...}, number={13}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Lomenzo, Patrick D. and Takmeel, Qanit and Zhou, Chuanzhen and Fancher, Chris M. and Lambers, Eric and Rudawski, Nicholas G. and Jones, Jacob L. and Moghaddam, Saeed and Nishida, Toshikazu}, year={2015}, month={Apr}, pages={134105} }
 @article{kim_ghosh_buvaev_mhin_jones_hebard_norton_2015, title={The effects of oxygen pressure on disordering and magneto-transport properties of Ba2FeMoO6 thin films grown via pulsed laser deposition}, volume={118}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4923354}, DOI={10.1063/1.4923354}, abstractNote={Epitaxial Ba2FeMoO6 thin films were grown via pulsed laser deposition under low oxygen pressure and their structural, chemical, and magnetic properties were examined, focusing on the effects of oxygen pressure. The chemical disorder, off-stoichiometry in B site cations (Fe and Mo) increased with increasing oxygen pressure and thus magnetic properties were degraded. Interestingly, in contrast, negative magneto-resistance, which is the characteristics of this double perovskite material, was enhanced with increasing oxygen pressure. It is believed that phase segregation of highly disordered thin films is responsible for the increased magneto-resistance of thin films grown at high oxygen pressure. The anomalous Hall effect, which behaves hole-like, was also observed due to spin-polarized itinerant electrons under low magnetic field below 1 T and the ordinary electron-like Hall effect was dominant at higher magnetic fields.}, number={3}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Kim, Kyeong-Won and Ghosh, Siddhartha and Buvaev, Sanal and Mhin, Sungwook and Jones, Jacob L. and Hebard, Arthur F. and Norton, David P.}, year={2015}, month={Jul}, pages={033903} }
 @article{jones_lebeau_nikkel_oni_dycus_cozzan_lin_chernatynskiy_nino_sinnott_et al._2015, title={Thin Films: Combined Experimental and Computational Methods Reveal the Evolution of Buried Interfaces during Synthesis of Ferroelectric Thin Films (Adv. Mater. Interfaces 10/2015)}, volume={2}, ISSN={2196-7350}, url={http://dx.doi.org/10.1002/ADMI.201570048}, DOI={10.1002/ADMI.201570048}, abstractNote={Scanning transmission electron microscopy is utilized to reveal atomic-level interactions that occur during thermal processing at thin film oxide-metal interfaces, as described by J. L. Jones and co-workers in article 1500181. These observations, combined with in situ X-ray diffraction and theoretical techniques, are used to determine how solution-processed lead zirconate titanate (PZT) films nucleate on Pt electrodes, results that will guide future ferroelectric film processing.}, number={10}, journal={Advanced Materials Interfaces}, publisher={Wiley}, author={Jones, Jacob L. and LeBeau, James M. and Nikkel, Jason and Oni, Adedapo A. and Dycus, J. Houston and Cozzan, Clayton and Lin, Fang-Yin and Chernatynskiy, Aleksandr and Nino, Juan C. and Sinnott, Susan B. and et al.}, year={2015}, month={Jul}, pages={n/a-n/a} }
 @article{ursic_bencan_drazic_esteves_jones_usher_rojac_drnovsek_deluca_jouin_et al._2015, title={Unusual structural-disorder stability of mechanochemically derived-Pb(Sc0.5Nb0.5)O-3}, volume={3}, ISSN={["2050-7534"]}, DOI={10.1039/c5tc02205c}, abstractNote={This study demonstrates the important effect of processing on the B-site ordering in Pb(Sc0.5Nb0.5)O3 ceramics. In contradiction to previous observations on ceramics prepared from solid state synthesis powders, which show a distinctive B-site cation ordering when annealed below ∼1200 °C, in mechanochemically derived ceramics sintered 200 °C below this temperature, we do not observe such ordering, regardless of the conditions of thermal post-annealing. Accordingly, atomic-scale transmission electron microscopy revealed nanometer-sized B-site ordered regions in mechanochemically derived ceramics contrary to the larger regions extending through the whole grains in solid-state derived ceramics.}, number={39}, journal={JOURNAL OF MATERIALS CHEMISTRY C}, author={Ursic, Hana and Bencan, Andreja and Drazic, Goran and Esteves, Giovanni and Jones, Jacob L. and Usher, Tedi-Marie and Rojac, Tadej and Drnovsek, Silvo and Deluca, Marco and Jouin, Jenny and et al.}, year={2015}, pages={10309–10315} }
 @article{jones_starr_andrew_2014, title={Anisotropy in magnetoelectric composites}, volume={104}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4883639}, DOI={10.1063/1.4883639}, abstractNote={Anisotropy of piezoelectric and magnetostrictive materials is considered in order to determine the ideal directions and orientation relationships for which the maximum magnetoelectric response may be observed in a composite or heterostructure of these constituent materials. A formalism for the magnetoelectric effect is introduced that takes into account the independent anisotropy of the piezoelectric and magnetostrictive phases and their relative orientation. A maximum magnetoelectric effect is achieved in orientations that have not yet been achieved experimentally, suggesting a need for the development of new routes to synthesize and fabricate designed composite materials with enhanced magnetoelectric response.}, number={24}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Jones, Jacob L. and Starr, Justin D. and Andrew, Jennifer S.}, year={2014}, month={Jun}, pages={242901} }
 @article{rojac_bencan_malic_tutuncu_jones_daniels_damjanovic_2014, title={BiFeO3 Ceramics: Processing, Electrical, and Electromechanical Properties}, volume={97}, ISSN={["1551-2916"]}, DOI={10.1111/jace.12982}, abstractNote={Bismuth ferrite (BiFeO3), a perovskite material, rich in properties and with wide functionality, has had a marked impact on the field of multiferroics, as evidenced by the hundreds of articles published annually over the past 10 years. Studies from the very early stages and particularly those on polycrystalline BiFeO3 ceramics have been faced with difficulties in the preparation of the perovskite free of secondary phases. In this review, we begin by summarizing the major processing issues and clarifying the thermodynamic and kinetic origins of the formation and stabilization of the frequently observed secondary, nonperovskite phases, such as Bi25FeO39 and Bi2Fe4O9. The second part then focuses on the electrical and electromechanical properties of BiFeO3, including the electrical conductivity, dielectric permittivity, high-field polarization, and strain response, as well as the weak-field piezoelectric properties. We attempt to establish a link between these properties and address, in particular, the macroscopic response of the ceramics under an external field in terms of the dynamic interaction between the pinning centers (e.g., charged defects) and the ferroelectric/ferroelastic domain walls.}, number={7}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Rojac, Tadej and Bencan, Andreja and Malic, Barbara and Tutuncu, Goknur and Jones, Jacob L. and Daniels, John E. and Damjanovic, Dragan}, year={2014}, month={Jul}, pages={1993–2011} }
 @article{zhao_nelson_aldridge_iamsasri_fancher_forrester_nishida_moghaddam_jones_2014, title={Crystal structure of Si-doped HfO2}, volume={115}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4861733}, DOI={10.1063/1.4861733}, abstractNote={Si-doped HfO2 was prepared by solid state synthesis of the starting oxides. Using Rietveld refinement of high resolution X-ray diffraction patterns, a substitutional limit of Si in HfO2 was determined as less than 9 at. %. A second phase was identified as Cristobalite (SiO2) rather than HfSiO4, the latter of which would be expected from existing SiO2-HfO2 phase diagrams. Crystallographic refinement with increased Si-dopant concentration in monoclinic HfO2 shows that c/b increases, while β decreases. The spontaneous strain, which characterizes the ferroelastic distortion of the unit cell, was calculated and shown to decrease with increasing Si substitution.}, number={3}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Zhao, Lili and Nelson, Matthew and Aldridge, Henry and Iamsasri, Thanakorn and Fancher, Chris M. and Forrester, Jennifer S. and Nishida, Toshikazu and Moghaddam, Saeed and Jones, Jacob L.}, year={2014}, month={Jan}, pages={034104} }
 @article{henriques_graham_landsberger_ihlefeld_brennecka_brown_forrester_jones_2014, title={Crystallographic changes in lead zirconate titanate due to neutron irradiation}, volume={4}, ISSN={2158-3226}, url={http://dx.doi.org/10.1063/1.4902179}, DOI={10.1063/1.4902179}, abstractNote={Piezoelectric and ferroelectric materials are useful as the active element in non-destructive monitoring devices for high-radiation areas. Here, crystallographic structural refinement (i.e., the Rietveld method) is used to quantify the type and extent of structural changes in PbZr0.5Ti0.5O3 after exposure to a 1 MeV equivalent neutron fluence of 1.7 × 1015 neutrons/cm2. The results show a measurable decrease in the occupancy of Pb and O due to irradiation, with O vacancies in the tetragonal phase being created preferentially on one of the two O sites. The results demonstrate a method by which the effects of radiation on crystallographic structure may be investigated.}, number={11}, journal={AIP Advances}, publisher={AIP Publishing}, author={Henriques, Alexandra and Graham, Joseph T. and Landsberger, Sheldon and Ihlefeld, Jon F. and Brennecka, Geoff L. and Brown, Donald W. and Forrester, Jennifer S. and Jones, Jacob L.}, year={2014}, month={Nov}, pages={117125} }
 @article{ghosh_sakata_carter_thomas_han_nino_jones_2014, title={Domain Wall Displacement is the Origin of Superior Permittivity and Piezoelectricity in BaTiO 3 at Intermediate Grain Sizes}, volume={24}, ISSN={["1616-3028"]}, DOI={10.1002/adfm.201301913}, abstractNote={The dielectric and piezoelectric properties of ferroelectric polycrystalline materials have long been known to be strong functions of grain size and extrinsic effects such as domain wall motion. In BaTiO 3 , for example, it has been observed for several decades that the piezoelectric and dielectric properties are maximized at intermediate grain sizes (≈1 μm) and different theoretical models have been introduced to describe the physical origin of this effect. Here, using in situ, high‐energy X‐ray diffraction during application of electric fields, it is shown that 90° domain wall motion during both strong (above coercive) and weak (below coercive) electric fields is greatest at these intermediate grain sizes, correlating with the enhanced permittivity and piezoelectric properties observed in BaTiO 3 . This result validates the long‐standing theory in attributing the size effects in polycrystalline BaTiO 3 to domain wall displacement. It is now empirically established that a doubling or more in the piezoelectric and dielectric properties of polycrystalline ferroelectric materials can be achieved through domain wall displacement effects; such mechanisms are suggested for use in the design of new ferroelectric materials with enhanced properties.}, number={7}, journal={ADVANCED FUNCTIONAL MATERIALS}, author={Ghosh, Dipankar and Sakata, Akito and Carter, Jared and Thomas, Pam A. and Han, Hyuksu and Nino, Juan C. and Jones, Jacob L.}, year={2014}, month={Feb}, pages={885–896} }
 @article{tutuncu_li_bowman_jones_2014, title={Domain wall motion and electromechanical strain in lead-free piezoelectrics: Insight from the model system (1 − x)Ba(Zr0.2Ti0.8)O3–x(Ba0.7Ca0.3)TiO3 using in situ high-energy X-ray diffraction during application of electric fields}, volume={115}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4870934}, DOI={10.1063/1.4870934}, abstractNote={The piezoelectric compositions (1 − x)Ba(Zr0.2Ti0.8)O3–x(Ba0.7Ca0.3)TiO3 (BZT-xBCT) span a model lead-free morphotropic phase boundary (MPB) between room temperature rhombohedral and tetragonal phases at approximately x = 0.5. In the present work, in situ X-ray diffraction measurements during electric field application are used to elucidate the origin of electromechanical strain in several compositions spanning the tetragonal compositional range 0.6 ≤ x ≤ 0.9. As BCT concentration decreases towards the MPB, the tetragonal distortion (given by c/a-1) decreases concomitantly with an increase in 90° domain wall motion. The increase in observed macroscopic strain is predominantly attributed to the increased contribution from 90° domain wall motion. The results demonstrate that domain wall motion is a significant factor in achieving high strain and piezoelectric coefficients in lead-free polycrystalline piezoelectrics.}, number={14}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Tutuncu, Goknur and Li, Binzhi and Bowman, Keith and Jones, Jacob L.}, year={2014}, month={Apr}, pages={144104} }
 @article{dittmer_gobeljic_jo_shvartsman_lupascu_jones_rödel_2014, title={Ergodicity reflected in macroscopic and microscopic field-dependent behavior of BNT-based relaxors}, volume={115}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4867157}, DOI={10.1063/1.4867157}, abstractNote={The effect of heterovalent B-site doping on ergodicity of relaxor ferroelectrics is studied using (1 − y)(0.81Bi1/2 Na 1/2TiO3-0.19Bi1/2K1/2TiO3)-yBiZn1/2Ti1/2O3 (BNT-BKT-BZT) with y = {0.02;0.03;0.04} as a model system. Both the large- and small-signal parameters are studied as a function of electric field. The crystal structure is assessed by means of neutron diffraction in the initial state and after exposure to a high electric field. In order to measure ferroelastic domain textures, diffraction patterns of the poled samples are collected as a function of sample rotation angle. Piezoresponse force microscopy (PFM) is employed to probe the microstructure for polar regions at a nanoscopic scale. For low electric fields E < 2 kV·mm−1, large- and small-signal constitutive behavior do not change with composition. At high electric fields, however, drastic differences are observed due to a field-induced phase transition into a long-range ordered state. It is hypothesized that increasing BZT content decreases the degree of non-ergodicity; thus, the formation of long-range order is impeded. It is suggested that frozen and dynamic polar nano regions exist to a different degree, depending on the BZT content. This image is supported by PFM measurements. Moreover, PFM measurements suggest that the relaxation mechanism after removal of the bias field is influenced by surface charges.}, number={8}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Dittmer, Robert and Gobeljic, Danka and Jo, Wook and Shvartsman, Vladimir V. and Lupascu, Doru C. and Jones, Jacob L. and Rödel, Jürgen}, year={2014}, month={Feb}, pages={084111} }
 @article{schaefer_cheung_ihlefeld_jones_nagarajan_2014, title={Erratum to “Stability and dewetting kinetics of thin gold films on Ti, TiO  and ZnO adhesion layers” [Acta Mater. 61 (2013) 7841–7848]}, volume={70}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/J.ACTAMAT.2013.12.024}, DOI={10.1016/J.ACTAMAT.2013.12.024}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Schaefer, Brian T. and Cheung, Jeffrey and Ihlefeld, Jon F. and Jones, Jacob L. and Nagarajan, Valanoor}, year={2014}, month={May}, pages={316–317} }
 @article{tutuncu_fan_chen_xing_jones_2014, title={Extensive domain wall motion and deaging resistance in morphotropic 0.55Bi(Ni1/2Ti1/2)O-3-0.45PbTiO(3) polycrystalline ferroelectrics}, volume={104}, number={13}, journal={Applied Physics Letters}, author={Tutuncu, G. and Fan, L. L. and Chen, J. and Xing, X. R. and Jones, J. L.}, year={2014} }
 @article{tutuncu_fan_chen_xing_jones_2014, title={Extensive domain wall motion and deaging resistance in morphotropic 0.55Bi(Ni1/2Ti1/2)O3–0.45PbTiO3 polycrystalline ferroelectrics}, volume={104}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4870506}, DOI={10.1063/1.4870506}, abstractNote={Domain wall motion is known as a major source of extrinsic contributions to the dielectric and piezoelectric properties of ferroelectric materials. In the present work, we report the extent of non-180° domain wall motion during strong and weak electric field amplitudes in situ using time-resolved, high-energy X-ray diffraction in the ferroelectric morphotropic phase boundary composition 0.55Bi(Ni1/2Ti1/2)O3–0.45PbTiO3 (BNT-45PT). After application of strong electric fields, two phases are shown to coexist. In the tetragonal phase of this material, the extent of 90° domain wall motion is significant and the domain alignment is nearly saturated. Weak (subswitching) cyclic electric fields are then also shown to induce domain wall motion. Deaging, or the progressive loss of preferred domain orientation during sequentially increasing field amplitudes, is notably low in these materials, showing that the initial domain alignment is strongly stabilized. Overall, the in situ measurements reveal that domain wall mo...}, number={13}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Tutuncu, Goknur and Fan, Longlong and Chen, Jun and Xing, Xianran and Jones, Jacob L.}, year={2014}, month={Mar}, pages={132907} }
 @article{ghosh_sakata_carter_thomas_han_nino_jones_2014, title={Ferroelectric Materials: Domain Wall Displacement is the Origin of Superior Permittivity and Piezoelectricity in BaTiO3at Intermediate Grain Sizes (Adv. Funct. Mater. 7/2014)}, volume={24}, ISSN={1616-301X}, url={http://dx.doi.org/10.1002/ADFM.201470042}, DOI={10.1002/ADFM.201470042}, abstractNote={Domain walls in ferroelectrics are moved by the application of electric fields by J. L. Jones and co-workers. The extent of this domain wall motion can be measured using high-energy X-ray diffraction. During the application of electric fields, Debye-Scherrer cones diffract from the sample in transmission geometry. On page 885, the corresponding diffraction rings are measured on an area detector, and the contribution of domain walls to properties and functional behavior can thereby be analyzed.}, number={7}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Ghosh, Dipankar and Sakata, Akito and Carter, Jared and Thomas, Pam A. and Han, Hyuksu and Nino, Juan C. and Jones, Jacob L.}, year={2014}, month={Feb}, pages={884–884} }
 @article{lomenzo_zhao_takmeel_moghaddam_nishida_nelson_fancher_grimley_sang_lebeau_et al._2014, title={Ferroelectric phenomena in Si-doped HfO2 thin films with TiN and Ir electrodes}, volume={32}, number={3}, journal={Journal of Vacuum Science & Technology. B, Microelectronics and Nanometer Structures}, author={Lomenzo, P. D. and Zhao, P. and Takmeel, Q. and Moghaddam, S. and Nishida, T. and Nelson, M. and Fancher, C. M. and Grimley, E. D. and Sang, X. H. and LeBeau, J. M. and et al.}, year={2014} }
 @article{dittmer_jo_webber_jones_rödel_2014, title={Local structure change evidenced by temperature-dependent elastic measurements: Case study on Bi1/2Na1/2TiO3-based lead-free relaxor piezoceramics}, volume={115}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4866092}, DOI={10.1063/1.4866092}, abstractNote={The temperature-dependent Young’s modulus Y(T) of the lead-free piezoceramics of 0.8Bi1/2Na1/2TiO3-0.2Bi1/2K1/2TiO3 (20BKT) and 0.96(0.8Bi1/2Na1/2TiO3-0.2Bi1/2K1/2TiO3)-0.04 BiZn1/2Ti1/2O3 (4BZT) is measured with the impulse excitation technique and contrasted with corresponding dielectric and structural data. While the dielectric properties suggest a phase transition, the high resolution XRD patterns remain virtually unchanged from room temperature up to high temperatures, confirming no change in their long-range order. In contrast, the elastic properties indicate a broad and diffuse ferroelastic transition denoted by a minimum in Y(T). By analogy to the elastic and dielectric data of PbZrxTi1� xO3 and PLZT, it is concluded that 20BKT and 4BZT are relaxors with polar nanoregions embedded in a metrically cubic matrix. Interestingly, no indication for the freezing temperature was reflected in any of the employed measurement techniques. From the saturation of Y(T), it is suggested that the Burns temperature may be approximated as 700 � C. Moreover, it is found that the modification with the ternary end-member BiZn1/2Ti1/2O3 results in an increase in Young’s modulus. A comparison with the Bi1/2Na1/2TiO3-BaTiO3-K0.5Na0.5NbO3 yields the same results. V C 2014 AIP Publishing LLC.}, number={8}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Dittmer, Robert and Jo, Wook and Webber, Kyle G. and Jones, Jacob L. and Rödel, Jürgen}, year={2014}, month={Feb}, pages={084108} }
 @article{zhou_obi_nan_beguhn_lou_yang_gao_li_rand_lin_et al._2014, title={Low-temperature spin spray deposited ferrite/piezoelectric thin film magnetoelectric heterostructures with strong magnetoelectric coupling}, volume={25}, ISSN={0957-4522 1573-482X}, url={http://dx.doi.org/10.1007/S10854-014-1707-7}, DOI={10.1007/S10854-014-1707-7}, number={3}, journal={Journal of Materials Science: Materials in Electronics}, publisher={Springer Science and Business Media LLC}, author={Zhou, Z. and Obi, O. and Nan, T. X. and Beguhn, S. and Lou, J. and Yang, X. and Gao, Y. and Li, M. and Rand, S. and Lin, H. and et al.}, year={2014}, month={Jan}, pages={1188–1192} }
 @article{simons_daniels_studer_jones_hoffman_2014, title={Measurement and analysis of field-induced crystallographic texture using curved position-sensitive diffraction detectors}, volume={32}, ISSN={["1573-8663"]}, DOI={10.1007/s10832-014-9890-8}, number={4}, journal={JOURNAL OF ELECTROCERAMICS}, author={Simons, Hugh and Daniels, John E. and Studer, Andrew J. and Jones, Jacob L. and Hoffman, Mark}, year={2014}, month={Jun}, pages={283–291} }
 @article{mhin_nittala_lee_robinson_ihlefeld_brennecka_sanchez_polcawich_jones_2014, title={Phase and Texture Evolution in Chemically Derived PZT Thin Films on Pt Substrates}, volume={97}, ISSN={["1551-2916"]}, DOI={10.1111/jace.13007}, abstractNote={The crystallization of lead zirconate titanate (PZT) thin films was evaluated on two different platinum-coated Si substrates. One substrate consisted of a Pt coating on a Ti adhesion layer, whereas the other consisted of a Pt coating on a TiO2 adhesion layer. The Pt deposited on TiO2 exhibited a higher degree of preferred orientation than the Pt deposited on Ti (as measured by the Full Width at Half Maximum of the 111 peak about the sample normal). PZT thin films with a nominal Zr/Ti ratio of 52/48 were deposited on the substrates using the inverted mixing order (IMO) route. Phase and texture evolution of the thin films were monitored during crystallization using in situ X-ray diffraction at a synchrotron source. The intensity of the Pt3Pb phase indicated that deposition on a highly oriented Pt/TiO2 substrate resulted in less diffusion of Pb into the substrate relative to films deposited on Pt/Ti. There was also no evidence of the pyrochlore phase influencing texture evolution. The results suggest that PZT nucleates directly on Pt, which explains the observation of a more highly oriented 111 texture of PZT on the Pt/TiO2 substrate than on the Pt/Ti substrate.}, number={9}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Mhin, Sungwook and Nittala, Krishna and Lee, Jinhyung and Robinson, Douglas S. and Ihlefeld, Jon F. and Brennecka, Geoff L. and Sanchez, Luz M. and Polcawich, Ronald G. and Jones, Jacob L.}, year={2014}, month={Sep}, pages={2973–2979} }
 @article{haugen_olsen_madaro_morozov_tutuncu_jones_grande_einarsrud_2014, title={Piezoelectric K0.5Na0.5NbO3 Ceramics Textured Using Needlelike K0.5Na0.5NbO3 Templates}, volume={97}, ISSN={["1551-2916"]}, DOI={10.1111/jace.13223}, abstractNote={Improved performance by texturing has become attractive in the field of lead-free ferroelectrics, but the effect depends heavily on the degree of texture, type of preferred orientation, and whether the material is a rotator or extender ferroelectric. Here, we report on successful texturing of K0.5Na0.5NbO3 (KNN) ceramics by alignment of needlelike KNN templates in a matrix of KNN powder using tape casting. Homotemplated grain growth of the needles was confirmed during sintering, resulting in a high degree of texture parallel to the tape casting direction (TCD) and the aligned needles. The texture significantly improved the piezoelectric response parallel to the tape cast direction, corresponding to the direction of the strongest pc orientation, while the response normal to the tape cast plane was lower than for a nontextured KNN. In situ X-ray diffraction during electric field application revealed that non-180° domain reorientation was enhanced by an order of magnitude in the TCD, compared to the direction normal to the tape cast plane and in the nontextured ceramic. The effect of texture in KNN is discussed with respect to possible rotator ferroelectric properties of KNN.}, number={12}, journal={JOURNAL OF THE AMERICAN CERAMIC SOCIETY}, author={Haugen, Astri Bjornetun and Olsen, Gerhard Henning and Madaro, Francesco and Morozov, Maxim I. and Tutuncu, Goknur and Jones, Jacob L. and Grande, Tor and Einarsrud, Mari-Ann}, year={2014}, month={Dec}, pages={3818–3825} }
 @article{haugen_morozov_jones_einarsrud_2014, title={Rayleigh analysis of dielectric properties in textured K0.5Na0.5NbO3 ceramics}, volume={116}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4902858}, DOI={10.1063/1.4902858}, abstractNote={Grain texturing is a known method of exploiting the intrinsic dielectric and piezoelectric anisotropy in ferroelectric ceramics. However, the role of crystallographic texture on anisotropic extrinsic contributions including domain wall motion is not yet understood. Here, we investigate the dielectric and piezoelectric properties and small signal dielectric nonlinearities in K0.5Na0.5NbO3 ceramics in different directions of textured specimens and compare to ceramics without crystallographic texture. We demonstrate that directions in which pseudo-cubic 〈100〉 poles have greatest orientation density exhibit both an enhanced longitudinal piezoelectric response and lower dielectric nonlinearity.}, number={21}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Haugen, Astri Bjørnetun and Morozov, Maxim I. and Jones, Jacob L. and Einarsrud, Mari-Ann}, year={2014}, month={Dec}, pages={214101} }
 @article{voas_usher_liu_li_jones_tan_cooper_beckman_2014, title={Special quasirandom structures to study the (K0.5Na0.5)NbO3 random alloy}, volume={90}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.90.024105}, abstractNote={Abstract : The local structure of K0.5Na0.5NbO3 is investigated using first-principles methods with an optimized special quasirandom structure (SQS). Through a comparison of the computed pair distribution functions with those from neutron powder diffraction data, the SQS approach demonstrates its ability to accurately capture the local structure patterns derived from the random distribution of K and Na on the perovskite A-site. Using these structures, local variations in Na-O interactions are suggested to be the driving force behind the R3c to Pm phase transition. A comparison between the SQS and a rocksalt structure shows the inability of the latter to account for the local variability present in a random solid solution. As such, the predictive nature of the SQS demonstrated here suggests that this approach may provide insight in understanding the properties of a wide range of bulk oxide alloys or solid solutions.}, number={2}, journal={PHYSICAL REVIEW B}, author={Voas, Brian K. and Usher, Tedi-Marie and Liu, Xiaoming and Li, Shen and Jones, Jacob L. and Tan, Xiaoli and Cooper, Valentino R. and Beckman, Scott P.}, year={2014}, month={Jul} }
 @article{carter_aksel_iamsasri_forrester_chen_jones_2014, title={Structure and ferroelectricity of nonstoichiometric (Na0.5Bi0.5)TiO3}, volume={104}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4868109}, DOI={10.1063/1.4868109}, abstractNote={Stoichiometric (Na0.5Bi0.5)TiO3 (NBT) adopts the ABO3 perovskite structure with the A-site equally occupied by Na+ and Bi3+ ions. However, non-stoichiometric compositions can be synthesized intentionally or unintentionally. To determine the effect of A-site nonstoichiometry on the crystal structure and ferroelectricity of NBT, the composition of (Na0.5−xBi0.5+x)TiO3+x was varied using x = −0.01, −0.005, 0, 0.005, and 0.01. High resolution synchrotron x-ray diffraction and Rietveld refinement revealed that a shift in either direction from x = 0 results in a decrease in the spontaneous ferroelastic strain. Ferroelectric hysteresis and piezoelectric coefficients were found to be optimum in the stoichiometric composition.}, number={11}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Carter, Jared and Aksel, Elena and Iamsasri, Thanakorn and Forrester, Jennifer S. and Chen, Jun and Jones, Jacob L.}, year={2014}, month={Mar}, pages={112904} }
 @inproceedings{palizdar_mallick_maity_roy_comyn_stevenson_fancher_jones_poterala_messing_et al._2014, title={Texture analysis of thick bismuth ferrite lead titanate layers}, booktitle={2014 Joint IEEE International Symposium on the Applications of Ferroelectrics, International Workshop on Acoustic Transduction Materials and Devices & Workshop on Piezoresponse Force Microscopy (ISAF/IWATMD/PFM)}, author={Palizdar, M. and Mallick, D. and Maity, T. and Roy, S. and Comyn, T. P. and Stevenson, T. J. and Fancher, C. M. and Jones, J. L. and Poterala, S. F. and Messing, G. L. and et al.}, year={2014}, pages={166–168} }
 @article{lomenzo_takmeel_zhou_liu_fancher_jones_moghaddam_nishida_2014, title={The effects of layering in ferroelectric Si-doped HfO2 thin films}, volume={105}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4893738}, DOI={10.1063/1.4893738}, abstractNote={Atomic layer deposited Si-doped HfO2 thin films approximately 10 nm thick are deposited with various Si-dopant concentrations and distributions. The ferroelectric behavior of the HfO2 thin films are shown to be dependent on both the Si mol. % and the distribution of Si-dopants. Metal-ferroelectric-insulator-semiconductor capacitors are shown to exhibit a tunable remanent polarization through the adjustment of the Si-dopant distribution at a constant Si concentration. Inhomogeneous layering of Si-dopants within the thin films effectively lowers the remanent polarization. A pinched hysteresis loop is observed for higher Si-dopant concentrations and found to be dependent on the Si layering distribution.}, number={7}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Lomenzo, Patrick D. and Takmeel, Qanit and Zhou, Chuanzhen and Liu, Yang and Fancher, Chris M. and Jones, Jacob L. and Moghaddam, Saeed and Nishida, Toshikazu}, year={2014}, month={Aug}, pages={072906} }
 @article{foronda_deluca_aksel_forrester_jones_2014, title={Thermally-induced loss of piezoelectricity in ferroelectric Na0.5Bi0.5TiO3-BaTiO3}, volume={115}, ISSN={["1873-4979"]}, DOI={10.1016/j.matlet.2013.10.041}, abstractNote={The loss of piezoelectricity in ferroelectric sodium bismuth titanate (NBT) in solid solution with barium titanate ((1−x)NBT−xBT) is studied by means of thermal depoling and Raman spectroscopy. In the range 0≤x≤13%, the highest thermal stability of the piezoelectric coefficients is found in x=13%, for which a longitudinal piezoelectric coefficient of 118 pC/N was nearly temperature-independent up to a maximum temperature of 165 °C. The composition nearest the morphotropic phase boundary, x=6%, exhibited the lowest thermal depoling temperature of 107 °C. Depoling of this composition is suggested to arise from a second order phase transition evidenced in the temperature-dependent Raman spectra.}, journal={MATERIALS LETTERS}, author={Foronda, Humberto and Deluca, Marco and Aksel, Elena and Forrester, Jennifer S. and Jones, Jacob L.}, year={2014}, month={Jan}, pages={132–135} }
 @article{daniels_cozzan_ukritnukun_tutuncu_andrieux_glaum_dosch_jo_jones_2014, title={Two-step polarization reversal in biased ferroelectrics}, volume={115}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4881835}, DOI={10.1063/1.4881835}, abstractNote={Polarization reversal in polycrystalline ferroelectrics is shown to occur via two distinct and sequential domain reorientation steps. This reorientation sequence, which cannot be readily discriminated in the overall sample polarization, is made apparent using time-resolved high-energy x-ray diffraction. Upon application of electric fields opposite to the initial poling direction, two unique and significantly different time constants are observed. The first (faster time constant) is shown to be derived by the release of a residual stress due to initial electrical biasing and the second (slower time constant) due to the redevelopment of residual stress during further domain wall motion. A modified domain reorientation model is given that accurately describes the domain volume fraction evolution during the reversal process.}, number={22}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Daniels, John E. and Cozzan, Clayton and Ukritnukun, Supphatuch and Tutuncu, Goknur and Andrieux, Jerome and Glaum, Julia and Dosch, Chris and Jo, Wook and Jones, Jacob L.}, year={2014}, month={Jun}, pages={224104} }
 @article{seshadri_prewitt_studer_damjanovic_jones_2013, title={An in situ diffraction study of domain wall motion contributions to the frequency dispersion of the piezoelectric coefficient in lead zirconate titanate}, volume={102}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4789903}, DOI={10.1063/1.4789903}, abstractNote={The contribution of non-180° domain wall displacement to the frequency dependence of the longitudinal piezoelectric coefficient has been determined experimentally in lead zirconate titanate using time-resolved, in situ neutron diffraction. Under subcoercive electric fields of low frequencies, approximately 3% to 4% of the volume fraction of non-180° domains parallel to the field experienced polarization reorientation. This subtle non-180° domain wall motion directly contributes to 64% to 75% of the magnitude of the piezoelectric coefficient. Moreover, part of the 33 pm/V decrease in piezoelectric coefficient across 2 orders of magnitude in frequency is quantitatively attributed to non-180° domain wall motion effects.}, number={4}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Seshadri, Shruti B. and Prewitt, Anderson D. and Studer, Andrew J. and Damjanovic, Dragan and Jones, Jacob L.}, year={2013}, month={Jan}, pages={042911} }
 @article{iamsasri_tutuncu_uthaisar_pojprapai_jones_2013, title={Analysis methods for characterizing ferroelectric/ferroelastic domain reorientation in orthorhombic perovskite materials and application to Li-doped Na0.5K0.5NbO3}, volume={48}, ISSN={0022-2461 1573-4803}, url={http://dx.doi.org/10.1007/S10853-013-7495-2}, DOI={10.1007/S10853-013-7495-2}, number={20}, journal={Journal of Materials Science}, publisher={Springer Science and Business Media LLC}, author={Iamsasri, Thanakorn and Tutuncu, Goknur and Uthaisar, Chunmanus and Pojprapai, Soodkhet and Jones, Jacob L.}, year={2013}, month={Jun}, pages={6905–6910} }
 @article{fell_qian_carroll_chi_jones_meng_2013, title={Correlation Between Oxygen Vacancy, Microstrain, and Cation Distribution in Lithium-Excess Layered Oxides During the First Electrochemical Cycle}, volume={25}, ISSN={0897-4756 1520-5002}, url={http://dx.doi.org/10.1021/CM4000119}, DOI={10.1021/CM4000119}, abstractNote={Dynamic structural changes during the first electrochemical charge and discharge cycle in the Li-excess layered oxide compound, Li[Li1/5Ni1/5Mn3/5]O2, are studied with synchrotron X-ray diffraction (SXRD), aberration corrected scanning transmission electron microscopy (a-S/TEM), and electron energy loss spectroscopy (EELS). At different states of charge, we carefully examined the crystal structures and electronic structures within the bulk and have found that increased microstrain is accompanied with the cation migration and a second phase formation which occurs during the first cycle voltage plateau as well as into the beginning of the discharge cycle. The evidence indicates that the oxygen vacancy formation and activation may facilitate cation migration and results in the formation of a second phase. The EELS results reveal a Mn valence change from 4+ to 3+ upon oxygen vacancy formation and recovers back to 4+ at the discharge. The oxygen vacancy formation and activation at the partially delithiated sta...}, number={9}, journal={Chemistry of Materials}, publisher={American Chemical Society (ACS)}, author={Fell, Christopher R. and Qian, Danna and Carroll, Kyler J. and Chi, Miaofang and Jones, Jacob L. and Meng, Ying Shirley}, year={2013}, month={Apr}, pages={1621–1629} }
 @article{simons_daniels_glaum_studer_jones_hoffman_2013, title={Origin of large recoverable strain in 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO3 near the ferroelectric-relaxor transition}, volume={102}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4790285}, DOI={10.1063/1.4790285}, abstractNote={Piezoceramics of composition 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO3 demonstrate large recoverable strain at elevated temperature (T > 75 °C), which is absent at room temperature. In situ neutron diffraction was used to measure changes in the crystallographic and domain structures during electric field application at temperatures ranging from 25 °C to 100 °C. Quantitative evaluation of the ferroelastic domain volume fraction in the field-induced phases enabled calculation of the strain contribution from non-180° domain switching. The large recoverable strain is shown to be associated with the reversible nature of the phase transformation. These findings have implications to additional BNT-xBT-based composition and other relaxor ferroelectrics.}, number={6}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Simons, Hugh and Daniels, John E. and Glaum, Julia and Studer, Andrew J. and Jones, Jacob L. and Hoffman, Mark}, year={2013}, month={Feb}, pages={062902} }
 @article{nittala_mhin_dunnigan_robinson_ihlefeld_kotula_brennecka_jones_2013, title={Phase and texture evolution in solution deposited lead zirconate titanate thin films: Formation and role of the Pt3Pb intermetallic phase}, volume={113}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4811687}, DOI={10.1063/1.4811687}, abstractNote={Solution deposition is widely used for the fabrication of lead zirconate titanate (PZT) thin films on platinized silicon substrates. However, phase and texture evolution during the crystallization process is not well understood, particularly due to the difficulty in tracking changes in the thin films in situ during heating. In this work, we characterized phase and texture evolution in situ during heating and crystallization of PZT thin films using high-energy X-ray diffraction. Films were pyrolyzed at either 300 °C or 400 °C and heated at various rates between 0.5 °C/s and ∼150 °C/s. For films that were pyrolyzed at 300 °C, the most rapid heating rates first induced strong intensities from a transient Pt3Pb phase. The Pt3Pb phase inherited the texture of the pre-existing platinum layer. Combined with other observations, the results suggest the conversion of the platinum to the intermetallic phase near the interface due to the interdiffusion of lead. In all experimental variations, the pyrochlore phase was...}, number={24}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Nittala, Krishna and Mhin, Sungwook and Dunnigan, Katherine M. and Robinson, Douglas S. and Ihlefeld, Jon F. and Kotula, Paul G. and Brennecka, Geoff L. and Jones, Jacob L.}, year={2013}, month={Jun}, pages={244101} }
 @article{simons_daniels_glaum_studer_jones_hoffman_2013, title={Publisher's Note: “Origin of large recoverable strain in 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO3 near the ferroelectric-relaxor transition” [Appl. Phys. Lett. 102, 062902 (2013)]}, volume={102}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4795239}, DOI={10.1063/1.4795239}, abstractNote={First Page}, number={18}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Simons, Hugh and Daniels, John E. and Glaum, Julia and Studer, Andrew J. and Jones, Jacob L. and Hoffman, Mark}, year={2013}, month={May}, pages={189901} }
 @article{schaefer_cheung_ihlefeld_jones_nagarajan_2013, title={Stability and dewetting kinetics of thin gold films on Ti, TiOx and ZnO adhesion layers}, volume={61}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/J.ACTAMAT.2013.09.022}, DOI={10.1016/J.ACTAMAT.2013.09.022}, abstractNote={We present an in situ high-temperature confocal laser microscopy study on the thermal stability of 40 nm thick gold thin films grown on 40 nm Ti, TiOx and ZnO adhesion layers on (0 0 1) Si. In situ observation of the dewetting process was performed over a wide range of set temperatures (400–800 °C) and ramp rates (10–50 °C min−1) for each gold/adhesion layer combination. We found that significant dewetting and subsequent formation of gold islands occurs only at and above 700 °C for all adhesion layers. The dewetting is driven to equilibrium for gold/ZnO compared to gold/Ti and gold/TiOx as confirmed by ex situ X-ray diffraction and scanning electron microscopy characterization. Quantification of the in situ data through stretched exponential kinetic models reveals an underlying apparent activation energy of the dewetting process. This energy barrier for dewetting is higher for gold/Ti and gold/TiOx compared to gold/ZnO, thus confirming the ex situ observations. We rationalize that these apparent activation energies correspond to the underlying thermal stability of each gold/adhesion layer system.}, number={20}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Schaefer, Brian T. and Cheung, Jeffrey and Ihlefeld, Jon F. and Jones, Jacob L. and Nagarajan, Valanoor}, year={2013}, month={Dec}, pages={7841–7848} }
 @article{bjørnetun haugen_forrester_damjanovic_li_bowman_jones_2013, title={Structure and phase transitions in 0.5(Ba0.7Ca0.3TiO3)-0.5(BaZr0.2Ti0.8O3) from −100 °C to 150 °C}, volume={113}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4772741}, DOI={10.1063/1.4772741}, abstractNote={The solid solution of (x)Ba0.7Ca0.3TiO3-(1-x)BaZr0.2Ti0.8O3 is known to exhibit high piezoelectric constants. Discrepancies in the reported phase transitions and structure around room temperature, however, have complicated the understanding of the enhanced properties. Rietveld refinement of high-resolution X-ray diffraction is employed here to establish and refine the crystallographic structure at temperatures from −100 °C to 150 °C for x = 0.5. A combination of rhombohedral R3m and tetragonal P4mm is found to coexist at temperatures of 20 °C and −25 °C, bordered by single phase rhombohedral and tetragonal regions at lower (i.e., −100 °C) and higher (i.e., 70 °C) temperatures, respectively. The diffractograms also show signs of strain and domain wall scattering that are linked to the sample history.}, number={1}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Bjørnetun Haugen, Astri and Forrester, Jennifer S. and Damjanovic, Dragan and Li, Binzhi and Bowman, Keith J. and Jones, Jacob L.}, year={2013}, month={Jan}, pages={014103} }
 @article{usher_forrester_dela cruz_jones_2012, title={Crystal structure of 0.96(Na0.5Bi0.5TiO3)–0.04(BaTiO3) from combined refinement of x-ray and neutron diffraction patterns}, volume={101}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4759117}, DOI={10.1063/1.4759117}, abstractNote={High-resolution x-ray and neutron diffraction of (0.96)Na0.5Bi0.5TiO3–(0.04)BaTiO3 (NBT-4BT) reveal subtle structural distortions that evidence lower symmetry than allowed in the R3c space group. The combined refinement that best models the diffraction patterns is a two phase mixture of a monoclinic Cc phase and a minor fraction of a metrically cubic Pm3¯m phase (13 wt. %). The cubic phase is utilized to account for nanometer-scale regions whose local deviations from the long-range symmetry are not observed, such as polar nano-regions or tetragonal platelets. This suggests that the low symmetry found in the NBT-rich phases extends from 0 at. % to at least 4 at. % BT.}, number={15}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Usher, T.-M. and Forrester, J. S. and dela Cruz, C. R. and Jones, J. L.}, year={2012}, month={Oct}, pages={152906} }
 @article{pramanick_prewitt_forrester_jones_2012, title={Domains, Domain Walls and Defects in Perovskite Ferroelectric Oxides: A Review of Present Understanding and Recent Contributions}, volume={37}, ISSN={1040-8436 1547-6561}, url={http://dx.doi.org/10.1080/10408436.2012.686891}, DOI={10.1080/10408436.2012.686891}, abstractNote={Ferroelectric oxides are used in many modern technologies including sensors, actuators, thin-film memories and energy harvesting. Ferroelectrics of similar composition often show wide variations in their characteristic properties. Such variations in properties can be largely attributed to differences in the structural arrangements of domains and distributions of defects within a multidomain/polycrystalline material. Recent developments in characterization techniques and first-principle calculations have significantly advanced our understanding of how ferroelectric domains interact with material defects, and thereby influence the properties of a material. This review provides a broad outlook of the contributions from different experimental and computational studies that have clarified the structure of domains, domain walls and defects in perovskite ferroelectric oxides, and the evolution of these structures under the application of electric fields. It is intended that an integrated viewpoint of these issues, as provided here, will further motivate synergistic activities between the various research groups and industries towards the development and characterization of ferroelectric oxides.}, number={4}, journal={Critical Reviews in Solid State and Materials Sciences}, publisher={Informa UK Limited}, author={Pramanick, Abhijit and Prewitt, Anderson D. and Forrester, Jennifer S. and Jones, Jacob L.}, year={2012}, month={Dec}, pages={243–275} }
 @article{fell_chi_meng_jones_2012, title={In situ X-ray diffraction study of the lithium excess layered oxide compound Li[Li0.2Ni0.2Mn0.6]O2 during electrochemical cycling}, volume={207}, ISSN={0167-2738}, url={http://dx.doi.org/10.1016/j.ssi.2011.11.018}, DOI={10.1016/j.ssi.2011.11.018}, abstractNote={In situ X-ray diffraction patterns were collected using a laboratory X-ray diffractometer during the first electrochemical charge/discharge cycle of the layered lithium excess compound Li[Li0.2Ni0.2Mn0.6]O2 in the family of Li[NixLi1/3 − 2x/3Mn2/3 − x/3]O2 (x = 1/5). Dynamic changes in peak positions, lattice parameters, and microstrain help to explain the lithium de-intercalation mechanism in this class of materials. Strong anisotropy is observed in the shifts of the lattice parameters during the first cycle. The in situ electrochemical measurement shows dynamically changing strain during the first electrochemical cycle that is explained by known lithium and transition metal (TM) migration mechanisms.}, journal={Solid State Ionics}, publisher={Elsevier BV}, author={Fell, Christopher R. and Chi, Miaofang and Meng, Ying Shirley and Jones, Jacob L.}, year={2012}, month={Jan}, pages={44–49} }
 @article{eason_kennett_eden_krull_kowalski_jones_2012, title={In situ observation of microstrain relief in cold-sprayed bulk copper during thermal annealing}, volume={67}, ISSN={1359-6462}, url={http://dx.doi.org/10.1016/j.scriptamat.2012.07.029}, DOI={10.1016/j.scriptamat.2012.07.029}, abstractNote={The thermal annealing behavior of copper produced by cold-spray processing was observed in situ using time-resolved X-ray diffraction during heating. The relief of microstrain is found to be coincident with the onset of grain refinement. Electron channeling contrast imaging was used to characterize grain size in pre-sprayed, sprayed and annealed conditions. Recrystallization of plastic flow regions adjacent to powder surfaces results in nanometer-sized grains, in contrast to larger grained recrystallized regions observed toward the center of the powder particles.}, number={9}, journal={Scripta Materialia}, publisher={Elsevier BV}, author={Eason, P.D. and Kennett, S.C. and Eden, T.J. and Krull, I. and Kowalski, B. and Jones, Jacob L.}, year={2012}, month={Nov}, pages={791–794} }
 @article{nittala_mhin_jones_robinson_ihlefeld_brennecka_2012, title={In situ x-ray diffraction of solution-derived ferroelectric thin films for quantitative phase and texture evolution measurement}, volume={112}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4766387}, DOI={10.1063/1.4766387}, abstractNote={An in situ measurement technique is developed and presented, which utilizes x-rays from a synchrotron source with a two-dimensional detector to measure thin film microstructural and crystallographic evolution during heating. A demonstration experiment is also shown wherein the measured diffraction patterns are used to describe phase and texture evolution during heating and crystallization of solution-derived thin films. The diffraction images are measured sequentially while heating the thin film with an infrared lamp. Data reduction methodologies and representations are also outlined to extract phase and texture information from the diffraction images as a function of time and temperature. These techniques and data reduction methods are demonstrated during crystallization of solution-derived lead zirconate titanate ferroelectric thin films heated at a rate of 30 °C/min and using an acquisition time of 8 s. During heating and crystallization, a PtxPb type phase was not observed. A pyrochlore phase was obse...}, number={10}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Nittala, Krishna and Mhin, Sungwook and Jones, Jacob L. and Robinson, Douglas S. and Ihlefeld, Jon F. and Brennecka, Geoff L.}, year={2012}, month={Nov}, pages={104109} }
 @article{kim_ghosh_buvaev_mhin_jones_hebard_norton_2012, title={Magnetic and magnetotransport properties of Ba2FeMoO6 pulsed laser deposited thin films}, volume={112}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4761843}, DOI={10.1063/1.4761843}, abstractNote={Phase pure Ba2FeMoO6 thin films were grown by pulsed laser deposition at substrate temperatures ranging from 600 to 900 °C, and the structural, magnetic, and magnetotransport properties were investigated. The grain size, the conductivity, the saturation magnetization, and the coercive field all increase with increasing growth temperature, while the Curie temperature remains relatively constant. All samples showed negative magnetoresistance which is consistent with the half metallic property of double perovskites. Interestingly, the samples grown on the higher temperature substrates showed a small low-field positive magnetoresistance which is not understood. We also have observed an anomalous Hall effect, due to spin-polarized itinerant electrons, in which the saturation field of the hole-like anomalous portion decreases with increasing temperature and at higher temperatures manifests a negative slope (ordinary Hall effect) indicative of negative charge carriers.}, number={8}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Kim, Kyeong-Won and Ghosh, Siddhartha and Buvaev, Sanal and Mhin, Sungwook and Jones, Jacob L. and Hebard, Arthur F. and Norton, David P.}, year={2012}, month={Oct}, pages={083923} }
 @article{pramanick_jones_tutuncu_ghosh_stoica_an_2012, title={Strain incompatibility and residual strains in ferroelectric single crystals}, volume={2}, ISSN={2045-2322}, url={http://dx.doi.org/10.1038/srep00929}, DOI={10.1038/srep00929}, abstractNote={Residual strains in ferroelectrics are known to adversely affect the material properties by aggravating crack growth and fatigue degradation. The primary cause for residual strains is strain incompatibility between different microstructural entities. For example, it was shown in polycrystalline ferroelectrics that residual strains are caused due to incompatibility between the electric-field-induced strains in grains with different crystallographic orientations. However, similar characterization of cause-effect in multidomain ferroelectric single crystals is lacking. In this article, we report on the development of plastic residual strains in [111]-oriented domain engineered BaTiO(3) single crystals. These internal strains are created due to strain incompatibility across 90° domain walls between the differently oriented domains. The average residual strains over a large crystal volume measured by in situ neutron diffraction is comparable to previous X-ray measurements of localized strains near domain boundaries, but are an order of magnitude lower than electric-field-induced residual strains in polycrystalline ferroelectrics.}, number={1}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Pramanick, A. and Jones, J. L. and Tutuncu, G. and Ghosh, D. and Stoica, A. D. and An, K.}, year={2012}, month={Dec} }
 @article{aksel_forrester_foronda_dittmer_damjanovic_jones_2012, title={Structure and properties of La-modified Na0.5Bi0.5TiO3 at ambient and elevated temperatures}, volume={112}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.4751357}, DOI={10.1063/1.4751357}, abstractNote={The crystal structure and property changes of sodium bismuth titanate (Na0.5Bi0.5TiO3, NBT) piezoelectric ceramics are reported as a function of La modification (0.5–2.0 at. %) and increasing temperature using high resolution x-ray diffraction, permittivity, depolarization, and polarization and strain hysteresis measurements. La substitution is found to decrease the depolarization temperature of NBT (e.g., 1.5 at. % La substitution lowers the depolarization temperature by 60 °C relative to the unmodified composition) with little impact on the room temperature polarization and strain hysteresis. The room temperature structures of the various NBT compositions were modeled using a mixture of the monoclinic Cc space group and the cubic Pm3¯m phase, where the Pm3¯m phase is used to model local regions in the material which do not obey the long range Cc space group. With increasing La substitution, the lattice parameter distortions associated with the Cc phase approached that of the prototypical cubic unit cell...}, number={5}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Aksel, Elena and Forrester, Jennifer S. and Foronda, Humberto M. and Dittmer, Robert and Damjanovic, Dragan and Jones, Jacob L.}, year={2012}, month={Sep}, pages={054111} }
 @article{prewitt_jones_2011, title={Effects of the Poling Process on Piezoelectric Properties in Lead Zirconate Titanate Ceramics}, volume={419}, ISSN={0015-0193 1563-5112}, url={http://dx.doi.org/10.1080/00150193.2011.594725}, DOI={10.1080/00150193.2011.594725}, abstractNote={The influence of ferroelectric poling temperature and electric field amplitude on the piezoelectric coefficient d33 is investigated in a commercial lead zirconate titanate ceramic. A strong dependence of the electric field amplitude on the direct d33 coefficient is observed. The converse d33 piezoelectric coefficient of samples poled at specific conditions is measured and interpreted in the context of Rayleigh Law. Samples poled at higher temperatures and electric fields exhibit both a higher direct d33 coefficient and a higher extrinsic contribution to the converse d33 coefficient than samples which are less highly poled. Possible microstructural origins for this behavior are discussed.}, number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Prewitt, Anderson D. and Jones, Jacob L.}, year={2011}, month={Jan}, pages={39–45} }
 @article{jo_daniels_jones_tan_thomas_damjanovic_rödel_2011, title={Evolving morphotropic phase boundary in lead-free (Bi1/2Na1/2)TiO3–BaTiO3 piezoceramics}, volume={109}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.3530737}, DOI={10.1063/1.3530737}, abstractNote={The correlation between structure and electrical properties of lead-free (1−x)(Bi1/2Na1/2)TiO3–xBaTiO3 (BNT-100xBT) polycrystalline piezoceramics was investigated systematically by in situ synchrotron diffraction technique, combined with electrical property characterization. It was found that the morphotropic phase boundary (MPB) between a rhombohedral and a tetragonal phase evolved into a morphotropic phase region with electric field. In the unpoled material, the MPB was positioned at the transition from space group R3m to P4mm (BNT-11BT) with optimized permittivity throughout a broad single-phase R3m composition regime. Upon poling, a range of compositions from BNT-6BT to BNT-11BT became two-phase mixture, and maximum piezoelectric coefficient was observed in BNT-7BT. It was shown that optimized electrical properties are related primarily to the capacity for domain texturing and not to phase coexistence.}, number={1}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Jo, Wook and Daniels, John E. and Jones, Jacob L. and Tan, Xiaoli and Thomas, Pamela A. and Damjanovic, Dragan and Rödel, Jürgen}, year={2011}, month={Jan}, pages={014110} }
 @article{pojprapai (imlao)_jones_vodenitcharova_bernier_hoffman_2011, title={Investigation of the domain switching zone near a crack tip in pre-poled lead zirconate titanate ceramic via in situ X-ray diffraction}, volume={64}, ISSN={1359-6462}, url={http://dx.doi.org/10.1016/j.scriptamat.2010.08.053}, DOI={10.1016/j.scriptamat.2010.08.053}, abstractNote={The domain orientation distributions around the loaded crack tip in a poled piezoelectric ceramic were measured in situ by using a high-energy synchrotron X-ray source. The results show the dynamic domain switching behavior around the switching zone. The relationship between the stress intensity factor and switching zone is revealed. During mechanical loading, the domain switching zone significantly enlarges with an increase in the stress intensity factor. Moreover, the mechanical depoling effect generated by the stress around the crack tip is detected.}, number={1}, journal={Scripta Materialia}, publisher={Elsevier BV}, author={Pojprapai (Imlao), Soodkhet and Jones, Jacob L. and Vodenitcharova, Tania and Bernier, Joel V. and Hoffman, Mark}, year={2011}, month={Jan}, pages={1–4} }
 @article{aksel_forrester_jones_thomas_page_suchomel_2011, title={Monoclinic crystal structure of polycrystalline Na0.5Bi0.5TiO3}, volume={98}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.3573826}, DOI={10.1063/1.3573826}, abstractNote={Bismuth-based ferroelectric ceramics are currently under intense investigation for their potential as Pb-free alternatives to lead zirconate titanate-based piezoelectrics. Na0.5Bi0.5TiO3 (NBT), one of the widely studied compositions, has been assumed thus far to exhibit the rhombohedral space group R3c at room temperature. High-resolution powder x-ray diffraction patterns, however, reveal peak splitting in the room temperature phase that evidence the true structure as monoclinic with space group Cc. This peak splitting and Cc space group is only revealed in sintered powders; calcined powders are equally fit to an R3c model because microstructural contributions to peak broadening obscure the peak splitting.}, number={15}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Aksel, Elena and Forrester, Jennifer S. and Jones, Jacob L. and Thomas, Pam A. and Page, Katharine and Suchomel, Matthew R.}, year={2011}, month={Apr}, pages={152901} }
 @article{aksel_forrester_kowalski_jones_thomas_2011, title={Phase transition sequence in sodium bismuth titanate observed using high-resolution x-ray diffraction}, volume={99}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.3664393}, DOI={10.1063/1.3664393}, abstractNote={High resolution powder x-ray diffraction patterns of Na0.5Bi0.5TiO3 at selected temperatures were examined to compare structural changes with observed piezoelectric thermal depoling temperatures. The depoling temperatures do not correlate with discrete phase transition temperatures, and therefore, a structural transition is not the origin of thermal depoling. Rather, a correlation is made with an increase in volume fraction of material which does not obey the long-range Cc space group. The origin of the thermal depoling behavior may be the loss of long-range ferroelectric order by a decreasing proportion of the Cc phase or the associated percolation of disordered nano-scale platelets.}, number={22}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Aksel, Elena and Forrester, Jennifer S. and Kowalski, Benjamin and Jones, Jacob L. and Thomas, Pam A.}, year={2011}, month={Nov}, pages={222901} }
 @article{chen_nittala_forrester_jones_deng_yu_xing_2011, title={The Role of Spontaneous Polarization in the Negative Thermal Expansion of Tetragonal PbTiO3-Based Compounds}, volume={133}, ISSN={0002-7863 1520-5126}, url={http://dx.doi.org/10.1021/ja2046292}, DOI={10.1021/ja2046292}, abstractNote={PbTiO(3)-based compounds are well-known ferroelectrics that exhibit a negative thermal expansion more or less in the tetragonal phase. The mechanism of negative thermal expansion has been studied by high-temperature neutron powder diffraction performed on two representative compounds, 0.7PbTiO(3)-0.3BiFeO(3) and 0.7PbTiO(3)-0.3Bi(Zn(1/2)Ti(1/2))O(3), whose negative thermal expansion is contrarily enhanced and weakened, respectively. With increasing temperature up to the Curie temperature, the spontaneous polarization displacement of Pb/Bi (δz(Pb/Bi)) is weakened in 0.7PbTiO(3)-0.3BiFeO(3) but well-maintained in 0.7PbTiO(3)-0.3Bi(Zn(1/2)Ti(1/2))O(3). There is an apparent correlation between tetragonality (c/a) and spontaneous polarization. Direct experimental evidence indicates that the spontaneous polarization originating from Pb/Bi-O hybridization is strongly associated with the negative thermal expansion. This mechanism can be used as a guide for the future design of negative thermal expansion of phase-transforming oxides.}, number={29}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Chen, Jun and Nittala, Krishna and Forrester, Jennifer S. and Jones, Jacob L. and Deng, Jinxia and Yu, Ranbo and Xing, Xianran}, year={2011}, month={Jul}, pages={11114–11117} }
 @article{aksel_erdem_jakes_jones_eichel_2010, title={Defect structure and materials “hardening” in Fe2O3-doped [Bi0.5Na0.5]TiO3 ferroelectrics}, volume={97}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.3455888}, DOI={10.1063/1.3455888}, abstractNote={The effect of Fe2O3-doping on the defect structure and piezoelectric properties of [Bi0.5Na0.5]TiO3 ceramics is studied by means of electron paramagnetic resonance spectroscopy. The results show that the Fe3+ functional centers are incorporated at the perovskite B-site, and clearly can be attributed to the formation of (FeTi′–VO••)• defect complexes with charge compensating oxygen vacancies. Correspondingly, they act as acceptors which promotes materials “hardening.”}, number={1}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Aksel, Elena and Erdem, Emre and Jakes, Peter and Jones, Jacob L. and Eichel, Rüdiger-A.}, year={2010}, month={Jul}, pages={012903} }
 @article{daniels_jo_rödel_honkimäki_jones_2010, title={Electric-field-induced phase-change behavior in (Bi0.5Na0.5)TiO3–BaTiO3–(K0.5Na0.5)NbO3: A combinatorial investigation}, volume={58}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/j.actamat.2009.11.052}, DOI={10.1016/j.actamat.2009.11.052}, abstractNote={The electric-field-induced strain behavior in (1 − x − y)(Bi0.5Na0.5)TiO3–xBaTiO3–y(K0.5Na0.5)NbO3 electroceramics has been studied using a combinatorial technique. A stoichiometrically graded sample was produced to contain compositions across the ternary phase diagram between the two end-member components of 0.93(Bi0.5Na0.5)TiO3–0.07BaTiO3 and 0.86(Bi0.5Na0.5)TiO3–0.14(K0.5Na0.5)NbO3. Both composition and structural information were measured simultaneously during the application of electric fields using secondary X-ray fluorescence and high-energy X-ray microdiffraction, respectively. An initial electric-field-induced distortion from the pseudo-cubic structure is seen across all compositions, while those with a greater concentration of BaTiO3 also undergo an electric-field-induced phase transformation. The microstructural contribution to the macroscopic strain within the 0.93(Bi0.5Na0.5)TiO3–0.07BaTiO3 end member is quantified at a field strength of 5.5 kV mm−1; 0.08% and 0.11% of the measured macroscopic strain of 0.4% is contributed by the induced ferroelastic domain texture and the volumetric strain associated with the electric-field-induced phase transformation, respectively.}, number={6}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Daniels, John E. and Jo, Wook and Rödel, Jürgen and Honkimäki, Veijo and Jones, Jacob L.}, year={2010}, month={Apr}, pages={2103–2111} }
 @article{varlioglu_ustundag_tamura_jones_2010, title={Evolution of ferroelectric domain structures embedded inside polycrystalline BaTiO3 during heating}, volume={107}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.3311565}, DOI={10.1063/1.3311565}, abstractNote={The evolution of ferroelectric domains inside a single grain of a polycrystalline BaTiO3 ceramic was investigated under quasistatic heating by using polychromatic scanning x-ray microdiffraction. Four domain orientations were observed, three of which exhibited a classic of ∼90° ferroelastic relationship. The fourth domain orientation was found to be crystallographically related with one of the other orientations by a rotation of either 180.47° or 0.47°. While heating the polycrystalline BaTiO3 from room temperature to above the Curie temperature (125 °C), all four ferroelectric domain orientations rotated toward a paraelectric cubic orientation which was found to be at an intermediate orientation relative to the four domain orientations. The crystallographic relationships of the domains with respect to paraelectric phase were explained using a domain structure model by Nepochatenko.}, number={6}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Varlioglu, Mesut and Ustundag, Ersan and Tamura, Nobumichi and Jones, Jacob L.}, year={2010}, month={Mar}, pages={064101} }
 @article{pramanick_prewitt_cottrell_lee_studer_an_hubbard_jones_2010, title={In situ neutron diffraction studies of a commercial, soft lead zirconate titanate ceramic: response to electric fields and mechanical stress}, volume={99}, ISSN={0947-8396 1432-0630}, url={http://dx.doi.org/10.1007/s00339-010-5605-4}, DOI={10.1007/s00339-010-5605-4}, number={3}, journal={Applied Physics A}, publisher={Springer Science and Business Media LLC}, author={Pramanick, Abhijit and Prewitt, Anderson D. and Cottrell, Michelle A. and Lee, Wayne and Studer, Andrew J. and An, Ke and Hubbard, Camden R. and Jones, Jacob L.}, year={2010}, month={Mar}, pages={557–564} }
 @article{nittala_brennecka_tuttle_jones_2010, title={Phase evolution in solution deposited Pb-deficient PLZT thin films}, volume={46}, ISSN={0022-2461 1573-4803}, url={http://dx.doi.org/10.1007/s10853-010-5051-x}, DOI={10.1007/s10853-010-5051-x}, number={7}, journal={Journal of Materials Science}, publisher={Springer Science and Business Media LLC}, author={Nittala, Krishna and Brennecka, Geoff L. and Tuttle, Bruce A. and Jones, Jacob L.}, year={2010}, month={Nov}, pages={2148–2154} }
 @article{leist_webber_jo_aulbach_rödel_prewitt_jones_schmidlin_hubbard_2010, title={Stress-induced structural changes in La-doped BiFeO3–PbTiO3 high-temperature piezoceramics}, volume={58}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/j.actamat.2010.07.012}, DOI={10.1016/j.actamat.2010.07.012}, abstractNote={High-temperature piezoelectric polycrystalline ceramics of the system (1 − x)(Bi1−yLay)FeO3-xPbTiO3 (BF–PT), which are mixed phase in their consolidated state, have been investigated by in situ neutron diffraction during the application of uniaxial compressive stress. It is suggested that the achievable strain in BF–PT is largely generated by straining of the rhombohedral phase. The results of the neutron diffraction measurements are compared and discussed with respect to the measured macroscopic ferroelastic constitutive behavior for various compositions of BF–PT.}, number={18}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Leist, Thorsten and Webber, Kyle G. and Jo, Wook and Aulbach, Emil and Rödel, Jürgen and Prewitt, Anderson D. and Jones, Jacob L. and Schmidlin, Josh and Hubbard, Camden R.}, year={2010}, month={Oct}, pages={5962–5971} }
 @article{chen_nittala_jones_hu_xing_2010, title={Structural evidence for the nonmonotonic trend of TC in tetragonal PbTiO3BiScO3 solid solutions}, volume={96}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.3456389}, DOI={10.1063/1.3456389}, abstractNote={High-TC piezoelectric (1−x)PbTiO3xBiScO3 shows a nonmonotonic trend of TC in the tetragonal phase with respect to content of BiScO3. To understand this behavior, the structure of (1−x)PbTiO3xBiScO3 solid solutions is studied by means of neutron powder diffraction. The cation displacements of Pb/Bi and Ti/Sc exhibit a coupling property and a different impact by the substitution content of BiScO3. Its nonmonotonic trend of TC is quantitatively related to the calculated spontaneous polarization in the whole tetragonal range. The unique role of Bi-substitution not only contributes to enhance the component of polarization of Pb/Bi but also to increase the TC.}, number={25}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Chen, Jun and Nittala, Krishna and Jones, Jacob L. and Hu, Penghao and Xing, Xianran}, year={2010}, month={Jun}, pages={252908} }
 @article{jones_2010, title={The effect of crystal symmetry on the maximum polarization of polycrystalline ferroelectric materials}, volume={167}, ISSN={0921-5107}, url={http://dx.doi.org/10.1016/j.mseb.2010.01.019}, DOI={10.1016/j.mseb.2010.01.019}, abstractNote={In polycrystalline ceramics, the degree of domain orientation in all possible crystal orientations contributes to the total realizable polarization. The extent to which domains are oriented towards an applied field can be described by a polarization distribution function. Such representations are calculated and presented in the present work for several different crystal systems including monoclinic symmetries that exhibit a polarization rotation mechanism. The relationship between the polarization distribution functions and the attainable macroscopic polarization is also developed for polycrystalline ceramics that are initially randomly oriented. In these cases, polarization rotation allows a significant degree of preferred orientation parallel to the electric field (>1000 multiples of a random distribution). However, the fraction of single crystal polarization that can be achieved (97.5%) is only marginally better than those of higher crystal symmetry.}, number={1}, journal={Materials Science and Engineering: B}, publisher={Elsevier BV}, author={Jones, Jacob L.}, year={2010}, month={Feb}, pages={6–11} }
 @article{daniels_jo_rödel_jones_2009, title={Electric-field-induced phase transformation at a lead-free morphotropic phase boundary: Case study in a 93%(Bi0.5Na0.5)TiO3–7% BaTiO3 piezoelectric ceramic}, volume={95}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.3182679}, DOI={10.1063/1.3182679}, abstractNote={The electric-field-induced strain in 93%(Bi0.5Na0.5)TiO3–7%BaTiO3 polycrystalline ceramic is shown to be the result of an electric-field-induced phase transformation from a pseudocubic to tetragonal symmetry. High-energy x-ray diffraction is used to illustrate the microstructural nature of the transformation. A combination of induced unit cell volumetric changes, domain texture, and anisotropic lattice strains are responsible for the observed macroscopic strain. This strain mechanism is not analogous to the high electric-field-induced strains observed in lead-based morphotropic phase boundary systems. Thus, systems which appear cubic under zero field should not be excluded from the search for lead-free piezoelectric compositions.}, number={3}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Daniels, John E. and Jo, Wook and Rödel, Jürgen and Jones, Jacob L.}, year={2009}, month={Jul}, pages={032904} }
 @article{pojprapai_russell_man_jones_daniels_hoffman_2009, title={Frequency effects on fatigue crack growth and crack tip domain-switching behavior in a lead zirconate titanate ceramic}, volume={57}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/j.actamat.2009.04.054}, DOI={10.1016/j.actamat.2009.04.054}, abstractNote={The microstructural origins of the effect of frequency on the electrical fatigue behavior of pre-cracked soft ferroelectric Pb(Zr0.48Ti0.52)O3 is investigated by means of a high spatial resolution hard X-ray synchrotron source. It is found that there is a strong link between the frequency of the applied bipolar field, domain-switching behavior in terms of ferroelastic reorientation of the domains around the crack tip and the resultant crack growth. The crack growth is accentuated under increased ferroelastic switching and, in particular, found to be more pronounced under low-frequency loading. The concept of domain wall viscoelasticity is applied to explain why lower frequencies accelerate crack growth under a bipolar electric field.}, number={13}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Pojprapai, Soodkhet and Russell, Jennifer and Man, Hou and Jones, Jacob L. and Daniels, John E. and Hoffman, Mark}, year={2009}, month={Aug}, pages={3932–3940} }
 @article{jones_hung_meng_2009, title={Intermittent X-ray diffraction study of kinetics of delithiation in nano-scale LiFePO4}, volume={189}, ISSN={0378-7753}, url={http://dx.doi.org/10.1016/j.jpowsour.2008.08.055}, DOI={10.1016/j.jpowsour.2008.08.055}, abstractNote={Using intermittent X-ray diffraction, an understanding of the time dependence of phase evolution in the electrode materials during lithium extraction can be determined. Phase evolution in both coated and uncoated nano-scale LiFePO4 samples upon chemical delithiation has been investigated by this technique. Different kinetic behaviors are observed in the two samples and the technique helps to understand the delithiation mechanism in the nano-scale LiFePO4 and is able to resolve phase evolution in seconds’ resolution.}, number={1}, journal={Journal of Power Sources}, publisher={Elsevier BV}, author={Jones, Jacob L. and Hung, Jui-Ting and Meng, Ying S.}, year={2009}, month={Apr}, pages={702–705} }
 @article{daniels_manuel_brink_jones_2009, title={Phase transformation of constrained BaTiO3 particles in a Sn matrix}, volume={61}, ISSN={1359-6462}, url={http://dx.doi.org/10.1016/j.scriptamat.2009.04.028}, DOI={10.1016/j.scriptamat.2009.04.028}, abstractNote={The phase transformation properties of barium titanate (BaTiO3) particles encapsulated in a Sn matrix have been investigated by high-energy X-ray diffraction both during and after the sintering process. The tetragonal to cubic phase transformation temperature of BaTiO3 in the sintered state is 11 °C lower than that in the pre-sintered state. The origin of this shift in transformation temperature is attributed to a component of hydrostatic stress acting on the BaTiO3 particles in the sintered state.}, number={4}, journal={Scripta Materialia}, publisher={Elsevier BV}, author={Daniels, John E. and Manuel, Michele V. and Brink, Christopher W. and Jones, Jacob L.}, year={2009}, month={Aug}, pages={391–394} }
 @article{nino_qiu_jones_2009, title={Strain state of bismuth zinc niobate pyrochlore thin films}, volume={517}, ISSN={0040-6090}, url={http://dx.doi.org/10.1016/j.tsf.2008.12.010}, DOI={10.1016/j.tsf.2008.12.010}, abstractNote={The anisotropic strain of bismuth zinc niobate (BZN) cubic pyrochlore thin films deposited on Si, sapphire, MgO, and Vycor glass substrates is characterized through four circle X-ray diffraction and Raman spectroscopy. Based on the X-ray measurements, it is found that all the films exhibit a hydrostatic compressive strain component with those on MgO substrate exhibiting the highest compressive strain component (0.4%). The effect of the compressive state on the local environment for the ions was investigated through Raman spectroscopy. The observed shifts in the peak position for Raman-active modes are consistent with the measured strain states and correlate well with previously reported dielectric properties for BZN films on MgO, Si, and sapphire.}, number={15}, journal={Thin Solid Films}, publisher={Elsevier BV}, author={Nino, Juan C. and Qiu, Wei and Jones, Jacob L.}, year={2009}, month={Jun}, pages={4325–4328} }
 @article{pojprapai (imlao)_jones_studer_russell_valanoor_hoffman_2008, title={Ferroelastic domain switching fatigue in lead zirconate titanate ceramics}, volume={56}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/j.actamat.2007.11.044}, DOI={10.1016/j.actamat.2007.11.044}, abstractNote={The influence of the frequency and amplitude of cyclic mechanical loading on soft, tetragonal lead zirconate titanate (PZT) ceramics was investigated via neutron diffraction. Intensity change in the {2 0 0} reflections provided quantitative measurements of domain switching behavior, domain texture and the strain resulting from domain switching. The results are explained using a viscoelasticity model. It was found that the magnitude of applied stress affects the level of strain accumulated, while its frequency affects the time taken for the strain to reach saturation. Furthermore, markedly different behaviors are exhibited by poled and unpoled samples. For samples loaded under identical conditions, the frequency effect is more pronounced in unpoled samples and the accumulated ferroelastic strain is greater in poled samples.}, number={7}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Pojprapai (Imlao), Soodkhet and Jones, Jacob L. and Studer, Andrew J. and Russell, Jennifer and Valanoor, Nagarajan and Hoffman, Mark}, year={2008}, month={Apr}, pages={1577–1587} }
 @article{jones_pramanick_daniels_2008, title={High-throughput evaluation of domain switching in piezoelectric ceramics and application to PbZr0.6Ti0.4O3 doped with La and Fe}, volume={93}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.2999623}, DOI={10.1063/1.2999623}, abstractNote={A combinatorial material synthesis and characterization technique is introduced and demonstrated wherein the ferroelectric behavior of a compositionally graded bulk ceramic is investigated during electrical loading. Using combined high-energy x-ray microdiffraction and fluorescence spectroscopy, non-180° domain wall motion of different compositions is measured and quantified as a function of composition across the gradation. The greatest amount of non-180° domain wall motion is found in samples containing the highest measured fraction of La dopant (2mol%).}, number={15}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Jones, Jacob L. and Pramanick, Abhijit and Daniels, John E.}, year={2008}, month={Oct}, pages={152904} }
 @article{jones_motahari_varlioglu_lienert_bernier_hoffman_üstündag_2007, title={Crack tip process zone domain switching in a soft lead zirconate titanate ceramic}, volume={55}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/j.actamat.2007.06.012}, DOI={10.1016/j.actamat.2007.06.012}, abstractNote={Non-180° domain switching leads to fracture toughness enhancement in ferroelastic materials. Using a high-energy synchrotron X-ray source and a two-dimensional detector in transmission geometry, non-180° domain switching and crystallographic lattice strains were measured in situ around a crack tip in a soft tetragonal lead zirconate titanate ceramic. At KI = 0.71 MPa m1/2 and below the initiation toughness, the process zone size, spatial distribution of preferred domain orientations, and lattice strains near the crack tip are a strong function of direction within the plane of the compact tension specimen. Deviatoric stresses and strains calculated using a finite element model and projected to the same directions measured in diffraction correlate with the measured spatial distributions and directional dependencies. Some preferred orientations remain in the crack wake after the crack has propagated; within the crack wake, the tetragonal 0 0 1 axis has a preferred orientation both perpendicular to the crack face and toward the crack front.}, number={16}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Jones, Jacob L. and Motahari, S. Maziar and Varlioglu, Mesut and Lienert, Ulrich and Bernier, Joel V. and Hoffman, Mark and Üstündag, Ersan}, year={2007}, month={Sep}, pages={5538–5548} }
 @article{jones_hoffman_vogel_2007, title={Ferroelastic domain switching in lead zirconate titanate measured by in situ neutron diffraction}, volume={39}, ISSN={0167-6636}, url={http://dx.doi.org/10.1016/j.mechmat.2006.06.005}, DOI={10.1016/j.mechmat.2006.06.005}, abstractNote={Ferroelastic domain switching in a soft lead zirconate titanate (PZT) ceramic is measured by neutron diffraction on the texture diffractometer HIPPO with mechanical compression applied in situ. Complete orientation distribution functions are measured by time-of-flight neutron diffraction and represented as pole figures and inverse pole figures at compressive stresses in 50 MPa increments up to a maximum of 200 MPa. Significant domain switching hysteresis was observed in parallel to the macroscopic strain hysteresis. The contribution of ferroelastic domain switching to the measured macroscopic strain is calculated directly from the 0 0 l pole figure. Subtraction of this contribution from the measured macroscopic strain yields the bulk-averaged lattice strain. After unloading, the macroscopic strain of 0.30% consists of 0.22% ferroelastic domain switching and 0.08% crystallographic lattice strain.}, number={4}, journal={Mechanics of Materials}, publisher={Elsevier BV}, author={Jones, Jacob L. and Hoffman, Mark and Vogel, Sven C.}, year={2007}, month={Apr}, pages={283–290} }
 @article{daniels_finlayson_davis_damjanovic_studer_hoffman_jones_2007, title={Neutron diffraction study of the polarization reversal mechanism in [111]c-oriented Pb(Zn1∕3Nb2∕3)O3−xPbTiO3}, volume={101}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.2733636}, DOI={10.1063/1.2733636}, abstractNote={The polarization reversal mechanism in [111]c-oriented Pb(Zn1∕3Nb2∕3)O3−xPbTiO3 has been investigated by in-situ neutron diffraction. Stepwise static-field measurements of the (222)c rocking curves confirm a two-stage polarization reversal mechanism via a sequence of non-180° domain reorientations. The time-resolved response has also been measured upon application of a bipolar square wave with a 30 s period to observe directly the relaxation times of diffracted neutron intensity during the reversal process. Upon application of a large antipolar field, the diffraction intensity increases quickly, before relaxing over a longer time period with an exponential decay constant, τ, of approximately 5.7 s. These large time constants correlate with a frequency dependence of the macroscopic strain-field response.}, number={10}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Daniels, John E. and Finlayson, Trevor R. and Davis, Matthew and Damjanovic, Dragan and Studer, Andrew J. and Hoffman, Mark and Jones, Jacob L.}, year={2007}, month={May}, pages={104108} }
 @article{jones_2007, title={The use of diffraction in the characterization of piezoelectric materials}, volume={19}, ISSN={1385-3449 1573-8663}, url={http://dx.doi.org/10.1007/s10832-007-9048-z}, DOI={10.1007/s10832-007-9048-z}, number={1}, journal={Journal of Electroceramics}, publisher={Springer Science and Business Media LLC}, author={Jones, Jacob L.}, year={2007}, month={Mar}, pages={69–81} }
 @article{daniels_finlayson_studer_hoffman_jones_2007, title={Time-resolved diffraction measurements of electric-field-induced strain in tetragonal lead zirconate titanate}, volume={101}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.2720255}, DOI={10.1063/1.2720255}, abstractNote={The dynamic electric-field-induced strain in piezoelectric ceramics enables their use in a broad range of sensor, actuator, and electronic devices. In piezoelectric ceramics which are also ferroelectric, this macroscopic strain is comprised of both intrinsic (piezoelectric) and extrinsic (non-180° domain switching) strain components. Extrinsic contributions are accompanied by hysteresis, nonlinearity, and fatigue. Though technologically significant, direct measurement of these mechanisms and their relative contributions to the macroscopic response has not yet been achieved at driving frequencies of interest. Here we report measurements of these mechanisms in ceramic lead zirconate titanate during application of subcoercive cyclic driving electric fields using an in-situ stroboscopic neutron diffraction technique. Calculations are made from the diffraction measurements to determine the relative contributions of these different strain mechanisms. During applied electric field square waves of +0.5Ec unipolar...}, number={9}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Daniels, John E. and Finlayson, Trevor R. and Studer, Andrew J. and Hoffman, Mark and Jones, Jacob L.}, year={2007}, month={May}, pages={094104} }
 @article{jones_pramanick_nino_maziar motahari_üstündag_daymond_oliver_2007, title={‘Time-resolved and orientation-dependent electric-field-induced strains in lead zirconate titanate ceramics}, volume={90}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.2732178}, DOI={10.1063/1.2732178}, abstractNote={Electric-field-induced lattice strains in a tetragonal ferroelectric lead zirconate titanate bulk ceramic are characterized under application of subcoercive cyclic electric fields using neutron diffraction and a stroboscopic data collection technique. At a driving electric field equal to half of the coercive field, the field-induced lattice strains are found to be a function of orientation with the greatest electric-field-induced strain coefficient of 680pm∕V in crystal orientations such that the 211 pole is parallel to the electric field. A time dependence of the 111 strain was also observed. Suggestions as to the nature of these dependences are discussed.}, number={17}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Jones, Jacob L. and Pramanick, Abhijit and Nino, Juan C. and Maziar Motahari, S. and Üstündag, Ersan and Daymond, Mark R. and Oliver, Edward C.}, year={2007}, month={Apr}, pages={172909} }
 @article{daniels_jones_finlayson_2006, title={Characterization of domain structures from diffraction profiles in tetragonal ferroelastic ceramics}, volume={39}, ISSN={0022-3727 1361-6463}, url={http://dx.doi.org/10.1088/0022-3727/39/24/029}, DOI={10.1088/0022-3727/39/24/029}, abstractNote={The underlying domain structures of ferroelastic ceramics have a large influence on their macroscopic electromechanical properties. The profile shape functions of certain pseudo-cubic peaks in diffraction patterns collected from these materials can provide a great deal of information about such domain structures. Using both constant-wavelength neutron and high-energy synchrotron x-ray diffraction, profile shape functions of the pseudo-cubic 002 reflection are evaluated in a soft, tetragonal PZT ceramic. Errors in the integrated intensity ratio, important for measuring the degree of domain boundary movement in these materials, are subject to further scrutiny. It is shown that an asymmetric Pearson VII type distribution, integrated numerically between reasonable limits, gives the most accurate value of relative domain populations in these materials. It is also shown that the diffuse scattering caused by ferroelastic domain walls may be used to estimate the amount of material that is affected by microstrains originating at these walls.}, number={24}, journal={Journal of Physics D: Applied Physics}, publisher={IOP Publishing}, author={Daniels, J E and Jones, J L and Finlayson, T R}, year={2006}, month={Dec}, pages={5294–5299} }
 @article{pojprapai(imlao)_jones_hoffman_2006, title={Determination of domain orientation in lead zirconate titanate ceramics by Raman spectroscopy}, volume={88}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.2195772}, DOI={10.1063/1.2195772}, abstractNote={Raman spectroscopy was employed to investigate the domain orientations of poled and unpoled tetragonal lead zirconate titanate ceramics. Using backscattering geometry, the ceramics were rotated 360° relative to the polarization direction of the incident beam. The ratio of the crossed to parallel polarization intensities in the poled sample demonstrates periodicity with respect to the rotation angle, while that of the unpoled sample does not. The angular periodicity of the intensity ratio is related to the domain orientations through the Raman tensor. Raman spectroscopy is thereby demonstrated as a quantitative technique that can measure domain switching distributions in ferroelastic ceramics.}, number={16}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Pojprapai(Imlao), Soodkhet and Jones, Jacob L. and Hoffman, Mark}, year={2006}, month={Apr}, pages={162903} }
 @article{jones_hoffman_daniels_studer_2006, title={Direct measurement of the domain switching contribution to the dynamic piezoelectric response in ferroelectric ceramics}, volume={89}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.2338756}, DOI={10.1063/1.2338756}, abstractNote={The dynamic piezoelectric response of ferroelectric ceramics is comprised of both intrinsic (piezoelectric lattice strain) and extrinsic (non-180° domain wall motion) components. Here the authors report direct measurements of non-180° domain wall motion in ceramic lead zirconate titanate during application of subcoercive cyclic driving electric fields using an in situ stroboscopic neutron diffraction technique. During unipolar cycling at 1Hz and half of the coercive field, non-180° domain switching gives rise to approximately 34% of the measured d33 coefficient of 400pm∕V.}, number={9}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Jones, Jacob L. and Hoffman, Mark and Daniels, John E. and Studer, Andrew J.}, year={2006}, month={Aug}, pages={092901} }
 @article{jones_hoffman_daniels_studer_2006, title={Ferroelastic contribution to the piezoelectric response in lead zirconate titanate by in situ stroboscopic neutron diffraction}, volume={385-386}, ISSN={0921-4526}, url={http://dx.doi.org/10.1016/j.physb.2006.05.115}, DOI={10.1016/j.physb.2006.05.115}, abstractNote={Ferroelastic domain switching during dynamic actuation is measured in situ for a piezoelectric lead zirconate titanate (PZT) ceramic utilizing a new capability developed on The Australian Strain Scanner (TASS) at ANSTO. Diffraction patterns are obtained as a function of time during a 1 Hz cycle. The change in the 0 0 2 and 2 0 0 diffraction intensities indicates there is ferroelastic domain switching at sub-coercive (weak) fields.}, journal={Physica B: Condensed Matter}, publisher={Elsevier BV}, author={Jones, Jacob L. and Hoffman, Mark and Daniels, John E. and Studer, Andrew J.}, year={2006}, month={Nov}, pages={100–102} }
 @article{iverson_jones_bowman_2006, title={Neutron texture assessment of ferroelectric lead metaniobate}, volume={385-386}, ISSN={0921-4526}, url={http://dx.doi.org/10.1016/j.physb.2006.05.365}, DOI={10.1016/j.physb.2006.05.365}, abstractNote={Texture in conventionally processed and oriented ferroelectric lead metaniobates has been examined using the neutron time-of-flight diffractometer HIPPO at the Los Alamos Neutron Science Center. Multiple diffraction spectra from ferroelectric ceramic structures were evaluated using the Rietveld software package materials analysis using diffraction (MAUD). The spontaneous polarization is parallel to the crystallographic b-axis, resulting in an increase in b-axis oriented peaks when the material is poled. This increase is accompanied with a decrease in a-axis oriented peaks. Samples were poled in order to examine a change in ferroelectric domain texture with applied electric field. Data is presented in the form of pole figures corresponding to the symmetries of the crystal, sample, and poling conditions.}, journal={Physica B: Condensed Matter}, publisher={Elsevier BV}, author={Iverson, Benjamin J. and Jones, Jacob L. and Bowman, Keith J.}, year={2006}, month={Nov}, pages={581–583} }
 @article{jones_hoffman_vogel_2006, title={Orientation-dependent lattice strains in lead zirconate titanate under mechanical compression by in situ neutron diffraction}, volume={385-386}, ISSN={0921-4526}, url={http://dx.doi.org/10.1016/j.physb.2006.05.288}, DOI={10.1016/j.physb.2006.05.288}, abstractNote={The electromechanical response of piezoelectric ceramics is a product of the micromechanics of individual grains; a variety of grain orientations with unique responses contribute to the macroscopic bulk ceramic response. In this paper, the lattice strains of tetragonal lead zirconate titanate are measured for many different grain orientations under compressive stress by in situ time-of-flight neutron diffraction. The diffractometer HIPPO at LANSCE is ideal for such orientation-dependent measurements because multiple detector panels measure diffraction vectors oriented throughout the sample orientation space. Parallel to the compression axis at high applied stresses, the 0 0 2 lattice strains are larger than the macroscopic strains. Ceramic intergranular stresses prevent each grain from becoming single-domain and less preferred orientations remain.}, journal={Physica B: Condensed Matter}, publisher={Elsevier BV}, author={Jones, Jacob L. and Hoffman, Mark and Vogel, Sven C.}, year={2006}, month={Nov}, pages={548–551} }
 @article{jones_slamovich_bowman_lupascu_2005, title={Domain switching anisotropy in textured bismuth titanate ceramics}, volume={98}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.2128475}, DOI={10.1063/1.2128475}, abstractNote={In a poled ferroelectric ceramic, the probability of crystallographic poles oriented in any given specimen direction is the multiple of both the initial crystallographic texture and the domain switching fraction. In this paper, the non-180° domain switching fraction is shown to be dependent on the initial crystallographic texture and poling direction in tape cast Na0.5Bi4.5Ti4O15 ceramics. The domain switching fraction is 0.18 out of a maximum of 0.50 when poled in a direction in which most of the possible ferroelastic structural distortions are oriented (tape casting plane) whereas no non-180° domain switching is discernable when poled in a less-preferred direction. The mechanism for domain switching anisotropy in textured bismuth titanate ceramics is suggested to be the synergistic alignment of ferroelastic structural distortions, analogous to the mechanical clamping conditions in poling ferroelastic thin films.}, number={10}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Jones, Jacob L. and Slamovich, Elliott B. and Bowman, Keith J. and Lupascu, Doru C.}, year={2005}, month={Nov}, pages={104102} }
 @article{jones_slamovich_bowman_2005, title={Domain texture distributions in tetragonal lead zirconate titanate by x-ray and neutron diffraction}, volume={97}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.1849821}, DOI={10.1063/1.1849821}, abstractNote={The domain structure of ferroelectric ceramics can be altered by the process of electrical poling. This paper develops quantitative approaches for reflection geometry and spherical harmonic texture analysis, both of which describe these changes at angles parallel to and tilted from the poling axis. The x-ray-diffraction approach uses the relative intensity ratio of ferroelectric poles in poled and unpoled lead zirconate titanate to calculate a domain switching fraction (η) or a multiple of a random distribution, which are shown to be linearly related. An x-ray area detector diffractometer was used for these measurements, although the technique applies to any x-ray reflection geometry. The neutron-diffraction approach employs a Rietveld refinement with a spherical harmonic texture model. Both approaches calculate similar domain textures for two poling fields and the small differences between the approaches can be attributed to surface domain texture. This paper shows that the March–Dollase pole distributio...}, number={3}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Jones, Jacob L. and Slamovich, Elliott B. and Bowman, Keith J.}, year={2005}, month={Feb}, pages={034113} }
 @article{jones_hoffman_bowman_2005, title={Saturated domain switching textures and strains in ferroelastic ceramics}, volume={98}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.1988978}, DOI={10.1063/1.1988978}, abstractNote={This paper introduces saturated domain switching textures of three different ferroelastic ceramic crystal systems. The accompanying extrinsic domain switching strain is calculated exclusively using a volume-weighted integral of a single pole figure. In ceramics which are also ferroelectric, the electromechanical response is defined by the domain switching textures, strains, and strain asymmetry, which are found to be functions of the number and directions of possible ferroelastic structural distortions.}, number={2}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Jones, Jacob L. and Hoffman, Mark and Bowman, Keith J.}, year={2005}, month={Jul}, pages={024115} }
 @article{jones_vogel_slamovich_bowman_2004, title={Quantifying texture in ferroelectric bismuth titanate ceramics}, volume={51}, ISSN={1359-6462}, url={http://dx.doi.org/10.1016/j.scriptamat.2004.08.020}, DOI={10.1016/j.scriptamat.2004.08.020}, abstractNote={The orientation distribution function of a modestly textured bismuth titanate ceramic is calculated from full-pattern Rietveld refinement of time-of-flight neutron and X-ray area detector spectra and measured pole figures from synchrotron X-ray diffraction. The recalculated 00l pole figures are consistent, demonstrating the validity of the texture descriptions introduced for this system.}, number={12}, journal={Scripta Materialia}, publisher={Elsevier BV}, author={Jones, Jacob L. and Vogel, Sven C. and Slamovich, Elliott B. and Bowman, Keith J.}, year={2004}, month={Dec}, pages={1123–1127} }