@article{long_creange_moballegh_dickey_2019, title={Electromigration-induced leakage current enhancement and its anisotropy in single crystal TiO 2}, volume={125}, ISSN={0021-8979 1089-7550}, url={http://dx.doi.org/10.1063/1.5090402}, DOI={10.1063/1.5090402}, abstractNote={Time-dependent increases in electrical conductivity in dielectrics exposed to a direct-current voltage bias can be detrimental to device reliability and lifetime, while the same phenomenon may be exploited for resistive switching functionality. The applied electric field induces the electromigration of charged point defects, resulting in spatially inhomogeneous stoichiometry and modifications in the electrode electrostatics. Herein, we monitor the time-dependent changes in leakage current in rutile TiO2 with platinum electrodes. Current–voltage measurements before and after the extended electrical biasing demonstrate that changes in the electrostatics of the cathode Schottky barrier are responsible for the time-dependent increases in leakage current. We also find that electromigration is accelerated along the ⟨001⟩ relative to the ⟨010⟩ crystallographic direction in contrast to what would be predicted by high-temperature diffusion kinetics. We find the observed anisotropic behavior to be consistent with a change in the defect charge state of the titanium interstitials and dominant transport path at lower temperatures. A comparison of optical color front migration kinetics to the temporal evolution of leakage current further supports the interpretation that ionic electromigration near the cathode interface is responsible for the increased leakage current in the electrically degraded state.}, number={18}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Long, Daniel and Creange, Nicole and Moballegh, Ali and Dickey, Elizabeth C.}, year={2019}, month={May}, pages={184101} }
 @article{long_klein_dickey_2019, title={Barrier formation at BaTiO3 interfaces with Ni and NiO}, volume={466}, ISSN={0169-4332}, url={http://dx.doi.org/10.1016/j.apsusc.2018.10.040}, DOI={10.1016/j.apsusc.2018.10.040}, abstractNote={Barium Titanate and Ni-based multilayer ceramic capacitors have wide commercial applicability, and interfaces are critical to the overall device behavior as they can help control unwanted leakage currents. Here we make use of photoemission methods to investigate the electrostatic barriers formed at BaTiO3/Ni(O) interfaces to understand the implications for electron injection. We find the interface Fermi level in BaTiO3 to evolve smoothly during Ni deposition with a Schottky barrier height for electrons of 0.68 eV, whereas with NiO the Fermi level evolves rapidly with an electron injection barrier of 1.49 eV. In-situ poling shows the Schottky barrier at the BaTiO3/Ni interface is not significantly altered by ferroelectric polarization, consistent with the good screening of the Ni electrode. This study presents a direct quantitative measurement of the interface barrier heights and highlights the significance of the oxidation state of the electrode.}, journal={Applied Surface Science}, publisher={Elsevier BV}, author={Long, Daniel M. and Klein, Andreas and Dickey, Elizabeth C.}, year={2019}, month={Feb}, pages={472–476} }
 @article{long_cai_baker_bowes_bayer_wang_wang_chen_randall_irving_et al._2018, title={Conductivity of iron‐doped strontium titanate in the quenched and degraded states}, volume={102}, ISSN={0002-7820 1551-2916}, url={http://dx.doi.org/10.1111/jace.16212}, DOI={10.1111/jace.16212}, abstractNote={AbstractThe electrical behavior of iron‐doped strontium titanate (Fe:SrTiO3) single crystals equilibrated at 900°C and quenched below 400°C at various oxygen partial pressures () was investigated via impedance spectroscopy and compared to defect chemistry models. Fe:SrTiO3 annealed and quenched between 1.2 × 10−14 and 2.0 × 10−4 Pa  exhibits a conduction activation energy (EA) around 0.6 eV, consistent with ionic conduction of oxygen vacancies. However, sudden changes in EA are found to either side of this range; a transition from 0.6 to 1 eV is found in more oxidizing conditions, while a sudden transition to 1.1 and then 0.23 eV is found in reducing  These transitions, not described by the widely used canonical model, are consistent with predictions of transitions from ionic to electronic conductivity, based on first principles point defect chemistry simulations. These models demonstrate that activation energies in mixed conductors may not correlate to specific conduction mechanisms, but are determined by the cumulative response of all operative conduction processes and are very sensitive to impurities. A comparison to electrically degraded Fe:SrTiO3 provides insight into the origins of the conductivity activation energies observed in those samples.}, number={6}, journal={Journal of the American Ceramic Society}, publisher={Wiley}, author={Long, Daniel M. and Cai, Biya and Baker, Jonathon N. and Bowes, Preston C. and Bayer, Thorsten J.M. and Wang, Jian‐Jun and Wang, Rui and Chen, Long‐Qing and Randall, Clive A. and Irving, Douglas L. and et al.}, year={2018}, month={Dec}, pages={3567–3577} }
 @article{fancher_hoffmann_sedov_parizzi_zhou_schultz_wang_long_2018, title={Time filtering of event based neutron scattering data: A pathway to study the dynamic structural responses of materials}, volume={89}, ISSN={["1089-7623"]}, DOI={10.1063/1.5031798}, abstractNote={Time-resolved diffraction has become a vital tool for probing dynamic responses to an applied stimulus. Such experiments traditionally use hardware solutions to histogram measured data into their respective bin. We will show that a major advantage of event-based data acquisition, which time-stamps measured diffraction data with 100 ns accuracy, is much preferred over hardware histogramming of the data by enabling postprocessing for advanced custom binning using a software solution. This approach is made even more powerful by coupling measured diffraction data with metadata about the applied stimuli and material response. In this work, we present a time-filter approach that leverages the power of event-based diffraction collection to reduce stroboscopic data measured over many hours into equally weighted segments that represent subsets of the response to a single cycle of the applied stimulus. We demonstrate this approach by observing ferroelectric/ferroelastic domain wall motion during electric field cycling of BaTiO3. The developed approach can readily be expanded to investigate other dynamic phenomena using complex sample environments.}, number={9}, journal={REVIEW OF SCIENTIFIC INSTRUMENTS}, author={Fancher, C. M. and Hoffmann, C. and Sedov, V and Parizzi, A. and Zhou, W. and Schultz, A. J. and Wang, X. P. and Long, D.}, year={2018}, month={Sep} }
 @article{baker_bowes_long_moballegh_harris_dickey_irving_2017, title={Defect mechanisms of coloration in Fe-doped SrTiO3 from first principles}, volume={110}, ISSN={0003-6951 1077-3118}, url={http://dx.doi.org/10.1063/1.4978861}, DOI={10.1063/1.4978861}, abstractNote={To understand the underlying defect mechanisms governing the coloration of Fe-doped SrTiO3 (Fe:STO), density functional theory calculations were used to determine defect formation energies and to interpret optical absorption spectra. A grand canonical defect equilibrium model was developed using the calculated formation energies, which enabled connection to annealing experiments. It was found that FeTi0 is stable in oxidizing conditions and leads to the optical absorption signatures in oxidized Fe:STO, consistent with experiment. Fe:STO was found to transition from brown to transparent as PO2 was reduced during annealing. The defect equilibrium model reproduces a consistent PO2 of this coloration transition. Most critical to reproducing the PO2 of the coloration transition was inclusion of a FeTi-VO first nearest neighbor complex, which was found to be strongly interacting. The coloration transition PO2 was found to be insensitive to the presence of minority background impurities, slightly sensitive to Fe content, and more sensitive to annealing temperature.}, number={12}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Baker, Jonathon N. and Bowes, Preston C. and Long, Daniel M. and Moballegh, Ali and Harris, Joshua S. and Dickey, Elizabeth C. and Irving, Douglas L.}, year={2017}, month={Mar}, pages={122903} }
 @article{donovan_long_moballegh_creange_dickey_hopkins_2017, title={Impact of intrinsic point defect concentration on thermal transport in titanium dioxide}, volume={127}, ISSN={1359-6454}, url={http://dx.doi.org/10.1016/j.actamat.2017.01.018}, DOI={10.1016/j.actamat.2017.01.018}, abstractNote={The thermal conductivity of functional oxide materials can be significantly impacted by variations in point defect concentration, especially at high concentrations where defect interactions can result in extended defects and secondary phase formation. In this work, we systematically study the impact of high point defect concentrations on thermal transport in rutile TiO2. Using atmospherically controlled annealing, we vary equilibrium point defect concentrations and measure the resulting thermal conductivity using time domain thermoreflectance. We verify our results with analytical modeling and find that it is not until very high defect concentrations (> 0.5 mol.%) that the phonon thermal conductivity is impacted. We vary the partial pressure of oxygen to low enough levels that sub-stoichiometric Magnéli phases form and find that these highly defective phases severely reduce the thermal conductivity and anisotropy from intrinsic levels.}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Donovan, Brian F. and Long, Daniel M. and Moballegh, Ali and Creange, Nicole and Dickey, Elizabeth C. and Hopkins, Patrick E.}, year={2017}, month={Apr}, pages={491–497} }