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2024 article
Construction of Ideal One-Dimensional Spin Chains by Topochemical Dehydration/Rehydration Route
Wang, Y., Fu, P., Takatsu, H., Tassel, C., Hayashi, N., Cao, J., … Lu, H. (2024, March 15). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.
2024 article
Observation of Haldane magnetism in organically templated vanadium phosphate (<i>en</i>H<sub>2</sub>)<sub>0.5</sub>VPO<sub>4</sub>OH
Samarin, A. S., Fedotov, S. S., Koo, H.-j., Whangbo, M.-h., Gippius, A. A., Zhurenko, S. V., … Vasiliev, A. N. (2024, September 11). DALTON TRANSACTIONS.
2024 article
Polar Layered Magnet Ba<sub>2</sub>Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>4</sub>F<sub>2</sub> Composed of Bitriangular Chains: Observation of 1/3-Magnetization Plateau
Yalikun, A., Wang, Y., Shi, N., Chen, Y., Huang, H., Koo, H.-J., … Lu, H. (2024, August 13). CHEMISTRY OF MATERIALS.
2023 article
A cascade of magnetic phase transitions and a 1/3-magnetization plateau in selenite-selenate Co-3(SeO3)(SeO4)(OH)(2) with kagome-like Co2+ ion layer arrangements: the importance of identifying a correct spin lattice
Murtazoev, A. F., Berdonosov, P. S., Lyssenko, K. A., Dolgikh, V. A., Geidorf, M. Y., Volkova, O. S., … Vasiliev, A. N. (2023, June 15). DALTON TRANSACTIONS.
2023 article
A combination of organic and inorganic cations in the synthesis of transition metal nitrates: preparation and characterization of canted rectangular Ising antiferromagnet (PyH)CsCo<sub>2</sub>(NO<sub>3</sub>)<sub>6</sub>
Vorobyova, A. A., Lyssenko, K. A., Chistyakov, G. D., Morozov, I. V., Ovchenkov, Y. A., Vasilchikova, T. M., … Vasiliev, A. N. (2023, November 9). DALTON TRANSACTIONS.
2023 journal article
Cation exchange route to a Eu(II)-containing tantalum oxide
JOURNAL OF SOLID STATE CHEMISTRY, 328.
2023 journal article
Magnetic transitions of hydrogenated H (x) CrO2 (x=0-2) monolayer from a ferromagnetic half-metal to antiferromagnetic insulator
JOURNAL OF PHYSICS-CONDENSED MATTER, 35(30).
2023 article
Phase Competition and Strong SHG Responses of the (Li2MMSe4)-M-II-Se-IV Family: Atom Response Theory Predictions versus Experimental Results
Cheng, X., Deng, S., Yao, W.-D., Guo, S.-P., Whangbo, M.-H., & Ding, B. (2023, January 24). CHEMISTRY OF MATERIALS.
2023 journal article
Successive Short- and Long-Range Magnetic Ordering in Ba2Mn3(SeO3)(6) with Honeycomb Layers of Mn3+ Ions Alternating with Triangular Layers of Mn2+ Ions
MATERIALS, 16(7).
2022 journal article
<p>Orbital projection technique to explore the materials genomes of optical susceptibilities & nbsp;& nbsp;</p>
Orbital projection technique to explore the materials genomes of optical susceptibilities & nbsp;& nbsp;
AIP ADVANCES, 12(5).2022 journal article
Absence of Spin Frustration in the Kagome Layers of Cu2+ Ions in Volborthite Cu3V2O7(OH)(2)center dot 2H(2)O and Observation of the Suppression and Re-Entrance of Specific Heat Anomalies in Volborthite under an External Magnetic Field
CONDENSED MATTER, 7(1).
2022 article
High-Spin Orbital Interactions Across van der Waals Gaps Controlling the Interlayer Ferromagnetism in van der Waals Ferromagnets
Koo, H.-J., Kremer, R. K., & Whangbo, M.-H. (2022, August 31). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.
2022 journal article
Highly anisotropic 1/3-magnetization plateau in a ferrimagnet Cs2Cu3(SeO3)(4)center dot 2H(2)O: topology of magnetic bonding necessary for magnetization plateau
DALTON TRANSACTIONS, 52(1), 118–127.
2022 journal article
Magnetic Properties of A(2)Ni(2)TeO(6) (A = K, Li): Zigzag Order in the Honeycomb Layers of Ni2+ Ions Induced by First and Third Nearest-Neighbor Spin Exchanges
MATERIALS, 15(7).
2022 review
Material research from the viewpoint of functional motifs
[Review of ]. NATIONAL SCIENCE REVIEW, 9(7).
2022 article
Microscopic Mechanism of the Heat-Induced Blueshift in Phosphors and a Logarithmic Energy Dependence on the Nearest Dopant-Vacancy Distance
Xu, J., Huang, X., Cheng, X., Whangbo, M.-H., & Deng, S. (2022, February 19). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.
2022 article
Multiple strongly coupled antiferromagnetic spin S=1/2 dimers in liroconite Cu2Al(As,P)O-4(OH)(4)center dot 4H(2)O
Kremer, R. K., Bette, S., Bruecher, E., Nuss, J., Schulz, A., Whangbo, M.-H., & Koo, H.-J. (2022, September 2). ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS.
2022 journal article
Negative Second Harmonic Response of Sn(4+)in the Fresnoite Oxysulfide Ba2SnSSi2O7
CHEMISTRY OF MATERIALS, 34(10), 4375–4383.
2022 article
Observation of a 1/3 magnetization plateau in Pb2Cu10O4(SeO3)(4)Cl-7 arising from (Cu2+)(7) clusters of corner-sharing (Cu2+)(4) tetrahedra
Vasiliev, A. N., Berdonosov, P. S., Kozlyakova, E. S., Maximova, O., Murtazoev, A. F., Dolgikh, V. A., … Whangbo, M.-H. (2022, September 6). DALTON TRANSACTIONS.
2022 journal article
Orthogonal antiferromagnetism to canted ferromagnetism in CaCo3Ti4O12 quadruple perovskite driven by underlying kagome lattices
COMMUNICATIONS MATERIALS, 3(1).
2022 journal article
Prediction of Large Second Harmonic Generation in the Metal-Oxide/Organic Hybrid Compound CuMoO3(p2c)
SYMMETRY-BASEL, 14(4).
2022 article
Preparation and Characterization of Francisite Solid Solutions Cu3Bi(S(e1-x)TexO(3))(2)O2Br (x=0-1): Possibility for Francisites as Starting Materials for Oxide van der Waals Ferromagnets
Markina, M., Vasilchikova, T., Kuznetsova, E., Berdonosov, P., Olenev, A., Chung, S. H., … Vasiliev, A. (2022, December 30). CHEMISTRY OF MATERIALS.
2022 article
Skin-Deep Aspect of Thermopower in Bi(2)Q(3), PbQ, and BiCuQO (Q = Se, Te): Hidden One-Dimensional Character of Their Band Edges Leading to High Thermopower
Lee, C., Park, T., Shim, J. H., & Whangbo, M.-H. (2022, September 21). ACCOUNTS OF CHEMICAL RESEARCH.
2022 article
Unusually High Magnetic Moments Reported for the High-Spin Co2+ Ions at Axially Elongated CoO4X2 (X = Cl, Br, S, Se) Octahedral Sites: Overestimated Magnetic Moments Caused by Underestimated Magnetic Form Factors
Whangbo, M.-H., Kremer, R. K., & Koo, H.-J. (2022, September 16). JOURNAL OF PHYSICAL CHEMISTRY C.
2021 journal article
Anomaly Negative Resistance Phenomena in Highly Epitaxial PrBa0.7Ca0.3Co2O5+delta Thin Films Induced from Superfast Redox Reactions
CATALYSTS, 11(12).
2021 journal article
Atomically dispersed cobalt-based species anchored on polythiophene as an efficient electrocatalyst for oxygen evolution reaction
APPLIED SURFACE SCIENCE, 545.
2021 journal article
Difference in magnetic anisotropy of the ferromagnetic monolayers VI3 and CrI3
PHYSICAL REVIEW B, 103(1).
2021 article
High partial thermal conductivity of luminescence sites: a crucial factor for reducing the heat-induced lowering of the luminescence efficiency
Luo, N., Xu, J., Cheng, X., Li, Z. H., Huang, Y., Whangbo, M.-H., … Hong, M. (2021, September 16). JOURNAL OF MATERIALS CHEMISTRY C.
2021 article
In Honor of John Bannister Goodenough, an Outstanding Visionary
Etourneau, J., Delmas, C., Jobic, S., & Whangbo, M.-H. (2021, November). MOLECULES, Vol. 26.
2021 review
Spin Exchanges between Transition Metal Ions Governed by the Ligand p-Orbitals in Their Magnetic Orbitals
[Review of ]. MOLECULES, 26(3).
2021 review
Spin Hamiltonians in Magnets: Theories and Computations
[Review of ]. MOLECULES, 26(4).
2021 journal article
Unusual Spin Exchanges Mediated by the Molecular Anion P2S64-: Theoretical Analyses of the Magnetic Ground States, Magnetic Anisotropy and Spin Exchanges of MPS3 (M = Mn, Fe, Co, Ni)
MOLECULES, 26(5).
2020 journal article
Atom Response Theory of Nonlinear Optical Responses and Its Applications
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 39(12), 2172–2181.
2020 journal article
Cu2O Nanoparticles with Both {100} and {111} Facets for Enhancing the Selectivity and Activity of CO2 Electroreduction to Ethylene
ADVANCED SCIENCE, 7(6).
2020 journal article
Enhancing the Photoelectrochemical Water Oxidation Reaction of BiVO4 Photoanode by Employing Carbon Spheres as Electron Reservoirs
ACS CATALYSIS, 10(21), 13031–13039.
2020 journal article
Ferromagnetic dual topological insulator in a two-dimensional honeycomb lattice
MATERIALS HORIZONS, 7(9), 2431–2438.
2020 journal article
Hidden magnetic order in the triangular-lattice magnet Li2MnTeO6
PHYSICAL REVIEW B, 102(9).
2020 journal article
Intralayer ferromagnetism between S=5/2 ions in MnBi2Te4: Role of empty Bi p states
PHYSICAL REVIEW B, 101(20).
2020 journal article
Key Factors Controlling the Large Second Harmonic Generation in Nonlinear Optical Materials
ACS APPLIED MATERIALS & INTERFACES, 12(8), 9434–9439.
2020 journal article
Magneto-Optical Kerr Switching Properties of (CrI3)(2) and (CrBr3/CrI3) Bilayers
ACS APPLIED ELECTRONIC MATERIALS, 2(5), 1373–1380.
2020 journal article
Molybdenum Nitride Electrocatalysts for Hydrogen Evolution More Efficient than Platinum/Carbon: Mo2N/CeO2@Nickel Foam
ACS APPLIED MATERIALS & INTERFACES, 12(26), 29153–29161.
2020 journal article
On Ferro- and Antiferro-Spin-Density Waves Describing the Incommensurate Magnetic Structure of NaYNiWO6
INORGANIC CHEMISTRY, 59(24), 17856–17859.
2020 journal article
Orbital Magnetic Moments of the High-Spin Co2+ Ions at Axially-Elongated Octahedral Sites: Unquenched as Reported from Experiment or Quenched as Predicted by Theory?
INORGANIC CHEMISTRY, 59(24), 18319–18324.
2020 journal article
Peculiarities of magnetic ordering in the S=5/2 two-dimensional square-lattice antimonate NaMnSbO4
PHYSICAL REVIEW B, 101(5).
2020 journal article
Physical Properties of Molecules and Condensed Materials Governed by Onsite Repulsion, Spin-Orbit Coupling and Polarizability of their Constituent Atoms
Molecules, 25(4), 867.
2020 journal article
Second harmonic generation responses of KH2PO4: importance of K and breaking down of Kleinman symmetry
RSC ADVANCES, 10(44), 26479–26485.
2020 journal article
Synthesis of the Elusive S=1/2 Star Structure: A Possible Quantum Spin Liquid Candidate
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 142(11), 5013–5016.
2020 journal article
Ternary selenides A(2)Sb(4)Se(8) (A = K, Rb and Cs) as an n-type thermoelectric material with high power factor and low lattice thermal conductivity: importance of the conformationally flexible Sb-Se-Se-Sb bridges
RSC ADVANCES, 10(24), 14415–14421.
2020 journal article
The partition principles for atomic-scale structures and their physical properties: application to the nonlinear optical crystal material KBe2BO3F2
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22(34), 19299–19306.
2020 journal article
Two-dimensional magnetism in alpha-CuV2O6
PHYSICAL REVIEW B, 102(1).
2019 journal article
Dependence of the Second-Harmonic Generation Response on the Cell Volume to Band-Gap Ratio
INORGANIC CHEMISTRY, 58(15), 9572–9575.
2019 journal article
Effect of Nonmagnetic Ion Deficiency on Magnetic Structure: Density Functional Study of Sr2MnO2Cu2-xTe2, Sr2MO2Cu2Te2 (M = Co, Mn), and the Oxide-Hydrides Sr2VO3H, Sr3V2O5H2, and SrVO2H
INORGANIC CHEMISTRY, 58(21), 14769–14776.
2019 journal article
Effect of the intra- and inter-triazine N-vacancies on the photocatalytic hydrogen evolution of graphitic carbon nitride
CHEMICAL ENGINEERING JOURNAL, 369, 263–271.
2019 journal article
Electronic and Structural Factors Controlling the Spin Orientations of Magnetic Ions
Inorganic Chemistry, 58(18), 11854–11874.
2019 journal article
Enhanced selectivity and activity for electrocatalytic reduction of CO2 to CO on an anodized Zn/carbon/Ag electrode
JOURNAL OF MATERIALS CHEMISTRY A, 7(28), 16685–16689.
2019 journal article
Improving the photocatalytic hydrogen evolution of UiO-67 by incorporating Ce4+-coordinated bipyridinedicarboxylate ligands
SCIENCE BULLETIN, 64(20), 1502–1509.
2019 journal article
Perovskite photocatalyst CsPbBr3-xIx with a bandgap funnel structure for H-2 evolution under visible light
APPLIED CATALYSIS B-ENVIRONMENTAL, 245, 522–527.
2019 journal article
Selective photocatalytic conversion of alcohol to aldehydes by singlet oxygen over Bi-based metal-organic frameworks under UV-vis light irradiation
APPLIED CATALYSIS B-ENVIRONMENTAL, 254, 463–470.
2019 journal article
Synthesis and Characterization of Sodium-Iron Antimonate Na2FeSbO5: One-Dimensional Antiferromagnetic Chain Compound with a Spin-Glass Ground State
INORGANIC CHEMISTRY, 58(17), 11333–11350.
2019 journal article
The Conceptual Dilemma of the One-Electron Picture in Describing the Uniaxial Magnetism at Linear Coordination Sites
European Journal of Inorganic Chemistry, 2019(21), 2630–2634.
2019 journal article
Triple-Kagome-Layer Slabs of Mixed-Valence Rare-Earth Ions Exhibiting Quantum Spin Liquid Behaviors: Synthesis and Characterization of Eu9MgS2B20O41
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(24), 9533–9536.
2018 journal article
Co3O4 nanobelt arrays assembled with ultrathin nanosheets as highly efficient and stable electrocatalysts for the chlorine evolution reaction
JOURNAL OF MATERIALS CHEMISTRY A, 6(26), 12718–12723.
2018 journal article
Comparison of the electronic and thermoelectric properties of three layered phases Bi2Te3, PbBi2Te4 and PbBi4Te7: LEGO thermoelectrics
AIP ADVANCES, 8(11).
2018 journal article
Composite of CH3NH3PbI3 with reduced graphene oxide as a highly efficient and stable visible-light photocatalyst for hydrogen evolution in aqueous HI solution
Advanced Materials, 30(7).
2018 journal article
Endotaxial growth of [100]-oriented TaON films on LiTaO3 single crystals for enhanced photoelectrochemical water splitting
Solar RRL, 2(6).
2018 journal article
Enhancing the Photocatalytic Hydrogen Evolution Activity of Mixed-Halide Perovskite CH3NH3PbBr3-xIx Achieved by Bandgap Funneling of Charge Carriers
ACS CATALYSIS, 8(11), 10349–10357.
2018 journal article
Interband Electron Pairing for Superconductivity from the Breakdown of the Born-Oppenheimer Approximation
CHEMPHYSCHEM, 19(23), 3191–3195.
2018 journal article
Low-Dimensional Magnetic Properties of Natural and Synthetic Mixite (Bi,Ca)Cu-6(OH)(6)(AsO4)(3)center dot nH(2)O (n approximate to 3) and Goudeyite YCu6(OH)(6)(AsO4)(3)center dot nH(2)O (n approximate to 3)
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 644(24), 1782–1790.
2018 journal article
Magnetic excitations of the Cu2+ quantum spin chain in Sr3CuPtO6
PHYSICAL REVIEW B, 97(10).
2018 journal article
Nonequivalent Spin Exchanges of the Hexagonal Spin Lattice Affecting the Low-Temperature Magnetic Properties of RInO3 (R = Gd, Tb, Dy): Importance of Spin-Orbit Coupling for Spin Exchanges between Rare-Earth Cations with Nonzero Orbital Moments
INORGANIC CHEMISTRY, 57(15), 9260–9265.
2018 journal article
Spin-Density Wave as a Superposition of Two Magnetic States of Opposite Chirality and Its Implications
INORGANIC CHEMISTRY, 57(16), 9782–9785.
2018 journal article
Stabilizing the titanium-based metal organic frameworks in water by metal cations with empty or partially-filled d orbitals
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 533, 9–12.
2018 journal article
The Large Second-Harmonic Generation of LiCs2PO4 is caused by the Metal-Cation-Centered Groups
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 57(15), 3933–3937.
2017 journal article
A comprehensive study of magnetic exchanges in the layered oxychalcogenides Sr(3)Fe(2)O(5)Cu(2)Q(2) (Q = S, Se)
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 444, 147–153.
2017 journal article
Adsorption of gaseous ethylene via induced polarization on plasmonic photocatalyst Ag/AgCl/TiO2 and subsequent photodegradation
APPLIED CATALYSIS B-ENVIRONMENTAL, 220, 356–361.
2017 journal article
Continual injection of photoinduced electrons stabilizing surface plasmon resonance of non-elemental-metal plasmonic photocatalyst CdS/WO3-x for efficient hydrogen generation
APPLIED CATALYSIS B-ENVIRONMENTAL, 226, 10–15.
2017 journal article
Enhancing the photocatalytic activity of BiOX (X = Cl, Br, and I), (BiO)(2)CO3 and Bi2O3 by modifying their surfaces with polar organic anions, 4-substituted thiophenolates
JOURNAL OF MATERIALS CHEMISTRY A, 5(27), 14406–14414.
2017 journal article
Fine-Tuning the Properties of Doped Multifunctional Materials by Controlled Reduction of Dopants
CHEMISTRY-A EUROPEAN JOURNAL, 23(13), 2998–3001.
2017 journal article
Group of Quantum Bits Acting as a Bit Using a Single-Domain Ferromagnet of Uniaxial Magnetic Ions
CHEMPHYSCHEM, 18(16), 2147–2150.
2017 journal article
Interaction of tantalum, titanium and phosphorus at 1070 K: Phase diagram and structural chemistry
JOURNAL OF ALLOYS AND COMPOUNDS, 732, 777–783.
2017 journal article
Magnetic field-temperature phase diagram of multiferroic [(CH3)(2)NH2]Mn(HCOO)(3)
PHYSICAL REVIEW B, 96(10).
2017 journal article
Magnetic phase transitions and magnetoelastic coupling in S=1/2 Heisenberg antiferromagnets
PHYSICAL REVIEW B, 95(10).
2017 journal article
Multigap Superconductivity at Extremely High Temperature: A Model for the Case of Pressurized H2S
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 30(1), 151–156.
2017 journal article
Oxygen-Vacancy-Induced Midgap States Responsible for the Fluorescence and the Long-Lasting Phosphorescence of the Inverse Spinel Mg(Mg,Sn)O-4
CHEMISTRY OF MATERIALS, 29(3), 1069–1075.
2017 journal article
Photocatalytic reduction of CO2 to methanol by three-dimensional hollow structures of Bi2WO6 quantum dots
APPLIED CATALYSIS B-ENVIRONMENTAL, 219, 209–215.
2017 journal article
Roles of reaction kinetics of CO2 on a PrBaCo2O5.5+delta surfaces
RSC ADVANCES, 7(64), 40558–40562.
2017 journal article
Seebeck Coefficients of Layered BiCuSeO Phases: Analysis of Their Hole-Density Dependence and Quantum Confinement Effect
CHEMISTRY OF MATERIALS, 29(5), 2348–2354.
2017 journal article
Single-Domain Ferromagnet of Noncentrosymmetric Uniaxial Magnetic Ions and Magnetoelectric Interaction
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(34), 10196–10199.
2017 journal article
Structural and Magnetic Properties of the Trirutile-type 1D-Heisenberg Anti-Ferromagnet CuTa2O6
INORGANIC CHEMISTRY, 56(11), 6318–6329.
2017 journal article
Superconductivity Induced by Oxygen Doping in Y2O2Bi
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56(34), 10123–10126.
2016 journal article
An efficient visible-light photocatalyst made from a nonpolar layered semiconductor by grafting electron-withdrawing organic molecules to its surface
CHEMICAL COMMUNICATIONS, 52(92), 13507–13510.
2016 review
Analogies between Jahn-Teller and Rashba spin physics
[Review of ]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 116(20), 1442–1450.
2016 journal article
Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)(2-) Versus (SeO3)(2-) Building Units in Solids
JOURNAL OF PHYSICAL CHEMISTRY C, 120(3), 1650–1656.
2016 journal article
Competing Jahn-Teller distortions and hydrostatic pressure effects in the quasi-one-dimensional quantum ferromagnet CuAs2O4
PHYSICAL REVIEW B, 93(2).
2016 journal article
Condensed-matter equation of states covering a wide region of pressure studied experimentally
Scientific Reports, 6.
2016 journal article
Enhancing the Photocatalytic Activity of BiVO4 for Oxygen Evolution by Ce Doping: Ce3+ Ions as Hole Traps
JOURNAL OF PHYSICAL CHEMISTRY C, 120(4), 2058–2063.
2016 journal article
Magnetic structure of (C5H12N)CuBr3: origin of the uniform Heisenberg chain behavior and the magnetic anisotropy of the Cu2+ (S=1/2) ions
RSC ADVANCES, 6(27), 22722–22727.
2016 journal article
Possibility of combining ferroelectricity and Rashba-like spin splitting in monolayers of the 1T-type transition-metal dichalcogenides MX2 (M = Mo, W; X = S, Se, Te)
PHYSICAL REVIEW B, 94(19).
2016 journal article
Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4, and Na2IrO3: Density functional, perturbation theory, and Madelung potential analyses
Journal of Chemical Physics, 144(11).
2016 journal article
Spin-Lattice Coupling in [Ni(HF2)(pyrazine)(2)]SbF6 Involving the HF2- Superexchange Pathway
INORGANIC CHEMISTRY, 55(23), 12172–12178.
2016 journal article
Structure and Composition of the 200K-Superconducting Phase of H2S at Ultrahigh Pressure: The Perovskite (SH-)(H3S+)
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 55(11), 3682–3684.
2015 journal article
Atomically layer-by-layer diffusion of oxygen/hydrogen in highly epitaxial PrBaCo2O5.5+delta thin films
Applied Physics Letters, 107(24).
2015 journal article
Catalytic Dynamics and Oxygen Diffusion in Doped PrBaCo2O5.5+delta Thin Films
ACS APPLIED MATERIALS & INTERFACES, 7(43), 24353–24359.
2015 journal article
Crucial Role of Site Disorder and Frustration in Unusual Magnetic Properties of Quasi-2D Triangular Lattice Antimonate Na4FeSbO6
APPLIED MAGNETIC RESONANCE, 46(10), 1121–1145.
2015 journal article
Density Functional Characterization of the Electronic Structures and Band Bending of Rutile RuO2/TiO2(110) Heterostructures
JOURNAL OF PHYSICAL CHEMISTRY C, 119(22), 12394–12399.
2015 journal article
Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds
PHYSICAL REVIEW B, 91(16).
2015 journal article
Enhancing the Efficiency of Water Oxidation by Boron-Doped BiVO4 under Visible Light: Hole Trapping by BO4 Tetrahedra
CHEMPLUSCHEM, 80(7), 1113–1118.
2015 journal article
Insights into How Fluorine-Adsorption and n-Type Doping Affect the Relative Stability of the (001) and (101) Surfaces of TiO2: Enhancing the Exposure of More Active but Thermodynamically Less Stable (001)
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6(10), 1876–1882.
2015 journal article
Loss of Linear Band Dispersion and Trigonal Structure in Silicene on Ir(111)
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 6(6), 1065–1070.
2015 journal article
New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties
INORGANIC CHEMISTRY, 54(4), 1705–1711.
2015 journal article
On Structural Features Necessary for Near-IR-Light Photocatalysts
CHEMISTRY-A EUROPEAN JOURNAL, 21(39), 13583–13587.
2015 journal article
On Why the Two Polymorphs of NaFePO4 Exhibit Widely Different Magnetic Structures: Density Functional Analysis
INORGANIC CHEMISTRY, 54(10), 4966–4971.
2015 journal article
Organic-inorganic hybrid perovskites ABI(3) (A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluationt
RSC ADVANCES, 5(96), 78701–78707.
2015 journal article
Pair Distribution Function and Density Functional Theory Analyses of Hydrogen Trapping by gamma-MnO2
INORGANIC CHEMISTRY, 54(4), 1194–1196.
2015 review
Prediction of Spin Orientations in Terms of HOMO-LUMO Interactions Using Spin-Orbit Coupling as Perturbation
[Review of ]. ACCOUNTS OF CHEMICAL RESEARCH, 48(12), 3080–3087.
2015 journal article
Spin excitations in the two-dimensional strongly coupled dimer system malachite
PHYSICAL REVIEW B, 91(6).
2015 journal article
Synthesis and characterization of ZnS with controlled amount of S vacancies for photocatalytic H-2 production under visible light
Scientific Reports, 5.
2015 journal article
Synthesis of the Layered Quaternary Uranium-Containing Oxide Cs2Mn3U6O22 and Characterization of its Magnetic Properties
INORGANIC CHEMISTRY, 54(11), 5495–5503.
2015 journal article
Tolerance Factor and Cation-Anion Orbital Interactions Differentiating the Polar and Antiferrodistortive Structures of Perovskite Oxides ABO(3)
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 641(6), 1043–1052.
2015 journal article
Unexpected Precursor Effects to the Structural Phase Transition in EuTiO3
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 641(2), 180–183.
2014 journal article
Ag6Si2O7: a Silicate Photocatalyst for the Visible Region
CHEMISTRY OF MATERIALS, 26(13), 3873–3875.
2014 journal article
Analysis of the Difference between the Pyroxenes LiFeSi2O6 and LiFeGe2O6 in Their Spin Order, Spin Orientation, and Ferrotoroidal Order
CHEMISTRY OF MATERIALS, 26(4), 1745–1750.
2014 journal article
Characterization of the spin-1/2 linear-chain ferromagnet CuAs2O4
PHYSICAL REVIEW B, 89(1).
2014 journal article
Crystal Structure and Magnetic Properties of FeSeO3F-Alternating Antiferromagnetic S=5/2 chains
INORGANIC CHEMISTRY, 53(8), 4250–4256.
2014 journal article
Density functional investigation of why Ba2BiFeS5 and Ba2SbFeS5 differ in their magnetic properties
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 360, 152–156.
2014 journal article
Electron Hole Pair Generation of the Visible-Light Plasmonic Photocatalyst Ag@AgCl: Enhanced Optical Transitions Involving Midgap Defect States of AgCl
JOURNAL OF PHYSICAL CHEMISTRY C, 118(23), 12133–12140.
2014 journal article
Evaluating the Curie-Weiss Temperature of a Magnetic System Composed of Nonequivalent Magnetic Ions in Terms of Spin Exchange Constants
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 35(5), 1277–1278.
2014 journal article
Magnetic and electrode properties, structure and phase relations of the layered triangular-lattice tellurate Li4NiTeO6
JOURNAL OF SOLID STATE CHEMISTRY, 225, 89–96.
2014 journal article
Magnetism of the Fe2+ and Ce3+ sublattices in Ce2O2FeSe2: A combined neutron powder diffraction, inelastic neutron scattering, and density functional study
PHYSICAL REVIEW B, 90(23).
2014 journal article
Most spin-1/2 transition-metal ions do have single ion anisotropy
Journal of Chemical Physics, 141(12).
2014 journal article
Solution phase post-modification of a trimesic acid network on Au(111) with Zn2+ ions
CHEMICAL COMMUNICATIONS, 51(5), 873–876.
2014 journal article
Spin Exchange and Magnetic Dipole Dipole Interactions Leading to the Magnetic Superstructures of MAs2O6 (M = Mn, Co, Ni)
INORGANIC CHEMISTRY, 53(7), 3812–3817.
2014 journal article
Strain-induced quantum spin Hall effect in methyl-substituted germanane GeCH3
Scientific Reports, 4.
2014 journal article
Strongly correlated one-dimensional magnetic behavior of NiTa2O6
PHYSICAL REVIEW B, 89(1).
2014 journal article
Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskites
Nature Communications, 5.
2014 journal article
Two-Orbital Three-Electron Stabilizing Interaction for Direct Co2+ - As3+ Bonds involving Square-Planar CoO4 in BaCoAs2O5
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(12), 3111–3114.
2014 journal article
Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo(2)O(5.5+delta) thin films
Scientific Reports, 4.
2014 journal article
Ultrafast chemical dynamic behavior in highly epitaxial LaBaCo2O5+delta thin films
JOURNAL OF MATERIALS CHEMISTRY C, 2(28), 5660–5666.
2013 journal article
A Contoured Network of Anionic Trimesic Acids on Au(111) and Its Host-Guest Chemistry
JOURNAL OF PHYSICAL CHEMISTRY C, 117(44), 22636–22643.
2013 journal article
A Crucial Role of Bond Covalency Competition in Determining the Bandgap and Photocatalytic Performance of Silver Oxosalts
JOURNAL OF PHYSICAL CHEMISTRY C, 117(50), 26509–26516.
2013 journal article
Across the Structural Re-Entrant Transition in BaFe2(PO4)(2): Influence of the Two-Dimensional Ferromagnetism
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 135(35), 13023–13029.
2013 journal article
Cu2(OH)PO4, a Near-Infrared-Activated Photocatalyst
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 52(18), 4810–4813.
2013 journal article
Dimethylammonium copper formate [(CH3)(2)NH2]Cu(HCOO)(3): A metal-organic framework with quasi-one-dimensional antiferromagnetism and magnetostriction
PHYSICAL REVIEW B, 87(22).
2013 journal article
Efficient Separation of Photogenerated Electron-Hole Pairs by the Combination of a Heterolayered Structure and Internal Polar Field in Pyroelectric BiOIO3 Nanoplates
CHEMISTRY-A EUROPEAN JOURNAL, 19(44), 14777–14780.
2013 journal article
Enhancing the Thermoelectric Properties of Layered Transition-Metal Dichalcogenides 2H-MQ(2) (M = Mo, W; Q = S, Se, Te) by Layer Mixing: Density Functional Investigation
CHEMISTRY OF MATERIALS, 25(18), 3745–3752.
2013 journal article
Hydrogen Sensing under Ambient Conditions Using SnO2 Nanowires: Synergetic Effect of Pd/Sn Codeposition
NANO LETTERS, 13(12), 5938–5943.
2013 journal article
Interface kinetic diffusion reaction leading to fast and continuous generation of AgCl nanocubes in NaCl solution
Dalton Transactions (Cambridge, England : 2003), 42(42), 15219–15225.
2013 journal article
Magnetic Properties of the RbMnPO4 Zeolite-ABW-Type Material: A Frustrated Zigzag Spin Chain
INORGANIC CHEMISTRY, 52(16), 9627–9635.
2013 journal article
Nonlinear pressure dependence of T-N in almost multiferroic EuTiO3
Journal of Physics. Condensed Matter, 25(37).
2013 journal article
Novel Soft-Chemistry Route of Ag2Mo3O10 center dot 2H(2)O Nanowires and in Situ Photogeneration of a Ag@Ag2Mo3O10 center dot 2H(2)O Plasmonic Heterostructure
INORGANIC CHEMISTRY, 52(11), 6440–6449.
2013 journal article
On the nature of the photochemical reaction of polypyridyl Ru(II) complexes leading to sunlight-to-chemical energy conversion: density functional analysis
RSC Advances, 3(24), 9414–9418.
2013 journal article
Quantum Critical Transition Amplifies Magnetoelastic Coupling in Mn[N(CN)(2)](2)
PHYSICAL REVIEW LETTERS, 110(23).
2013 journal article
Spin-Peierls distortions in TiPO4
PHYSICAL REVIEW B, 88(18).
2013 journal article
Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet
INORGANIC CHEMISTRY, 52(20), 11850–11858.
2013 journal article
Unified model of ferroelectricity induced by spin order
PHYSICAL REVIEW B, 88(5).
2012 journal article
Analysis of the magnetic structure of the manganese oxychalcogenides R2Mn2Se2O (R=LaO, BaF) by density functional calculations
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 324(22), 3859–3862.
2012 journal article
Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)(2)(3-chloropyridine)
CHEMICAL COMMUNICATIONS, 49(5), 499–501.
2012 journal article
CuBr2-A New Multiferroic Material with High Critical Temperature
ADVANCED MATERIALS, 24(18), 2469–2473.
2012 journal article
Density Functional Investigation of the Water Oxidation by Iron Complexes Based on Tetradentate Nitrogen Ligands
INORGANIC CHEMISTRY, 51(20), 10850–10855.
2012 journal article
Density functional analysis of the magnetic structures of Sr2MGe2O7 (M = Mn, Co)
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 324(22), 3716–3718.
2012 journal article
Giant Ferroelectric Polarization of CaMn7O12 Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
PHYSICAL REVIEW LETTERS, 108(18).
2012 journal article
Giant Magnetoresistance and Anomalous Magnetic Properties of Highly Epitaxial Ferromagnetic LaBaCo2O5.5+delta Thin Films on (001) MgO
ACS APPLIED MATERIALS & INTERFACES, 4(10), 5524–5528.
2012 journal article
Helicoidal magnetic structure and ferroelectric polarization in Cu3Nb2O8
PHYSICAL REVIEW B, 86(17).
2012 journal article
Hydrogenated titania: synergy of surface modification and morphology improvement for enhanced photocatalytic activity
Chemical Communications, 48(46), 5733–5735.
2012 journal article
Importance of Halogen center dot center dot center dot Halogen Contacts for the Structural and Magnetic Properties of CuX2(pyrazine-N,N '-dioxide)(H2O)(2) (X = Cl and Br)
Inorganic Chemistry, 51(4), 2121–2129.
2012 journal article
Increasing the Phase-Transition Temperatures in Spin-Frustrated Multiferroic MnWO4 by Mo Doping
CHEMISTRY OF MATERIALS, 24(2), 353–360.
2012 journal article
Influence of HF2- geometry on magnetic interactions elucidated from polymorphs of the metal-organic framework [Ni(HF2)(pyz)(2)]PF6 (pyz = pyrazine)
Dalton Transactions (Cambridge, England : 2003), 41(24), 7235–7243.
2012 journal article
Investigation of the spin exchange interactions and the magnetic structure of the high-temperature multiferroic CuBr2
PHYSICAL REVIEW B, 86(6).
2012 journal article
Magnetic Order Through Super-Superexchanges in the Polar Magnetoelectric Organic-Inorganic Hybrid Cr[(D3N-(CH2)(2)-PO3)(Cl)(D2O)]
INORGANIC CHEMISTRY, 52(2), 753–760.
2012 journal article
Magnetic and Electrical Transport Properties of LaBaCo2O5.5+delta Thin Films on Vicinal (001) SrTiO3 Surfaces
ACS APPLIED MATERIALS & INTERFACES, 5(2), 451–455.
2012 journal article
Magnetic properties and energy-mapping analysis
DALTON TRANSACTIONS, 42(4), 823–853.
2012 journal article
Non-idle-spin behavior and field-induced magnetic transitions of the triple chain magnet Cu-3(OH)(4)SO4
Journal of the Physical Society of Japan, 81(6).
2012 journal article
Optical Properties of the Orchid Colored Silver(II) Fluoride Cs2AgF4
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 638(11), 1792–1795.
2012 journal article
Plasmonic photocatalysts: Harvesting visible light with noble metal nanoparticles
Physical Chemistry Chemical Physics, 14(28), 9813–9825.
2012 journal article
Spin Reorientation in the Square-Lattice Antiferromagnets RMnAsO (R = Ce, Nd): Density Functional Analysis of the Spin-Exchange Interactions between the Rare-Earth and Transition-Metal Ions
INORGANIC CHEMISTRY, 51(12), 6890–6897.
2012 journal article
Strong Dzyaloshinskii-Moriya Interaction and Origin of Ferroelectricity in Cu2OSeO3
PHYSICAL REVIEW LETTERS, 109(10).
2012 journal article
Synthesis and characterization of the crystal structure and magnetic properties of the new fluorophosphate LiNaCo[PO4]F
Inorganic Chemistry, 51(16), 8729–8738.
2012 journal article
The surface termination effect on the quantum confinement and electron affinities of 3C-SiC quantum dots: a first-principles study
Nanoscale, 4(5), 1592–1597.
2012 journal article
Tip-Induced Modification of Polyoxometalate-Dodecane Thiol Self-Assembled Monolayers on Au(111) during Scanning Tunneling Microscopy Imaging
BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 33(9), 3139–3141.
2012 journal article
Tunable topological surface and realization of insulating massive Dirac fermion state in Bi2Te2Se with co-substitution
JOURNAL OF MATERIALS CHEMISTRY C, 1(1), 114–120.
2012 journal article
[Ni(HF2)(3-Clpy)(4)]BF4 (py = pyridine): Evidence for spin exchange along strongly distorted F center dot center dot center dot H center dot center dot center dot F- bridges in a one-dimensional polymeric chain
Inorganic Chemistry, 51(14), 7520–7528.
2011 journal article
A magnetic transition probed by the Ce ion in square-lattice antiferromagnet CeMnAsO
Journal of the Physical Society of Japan, 80(9).
2011 journal article
Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra
INORGANIC CHEMISTRY, 50(20), 10310–10318.
Contributors: Q. Zhao *, S. Nellutla n, W. Son n, S. Vaughn, L. Ye, M. Smith, V. Caignaert*, M. Lufaso
2011 journal article
Density Functional Analysis of the Magnetic Structure of Li3RuO4: Importance of the Ru-O center dot center dot center dot O-Ru Spin-Exchange Interactions and Substitutional Ru Defects at the Li Sites
INORGANIC CHEMISTRY, 50(19), 9400–9405.
2011 journal article
Density Functional Analysis of the Spin Exchange Interactions and Charge Order Patterns in the Layered Magnetic Oxides YBaM2O5 (M = Mn, Fe, Co)
INORGANIC CHEMISTRY, 50(21), 10643–10647.
2011 journal article
Density Functional Investigation of the Difference in the Magnetic Structures of the Layered Triangular Antiferromagnets CuFeO2 and AgCrO2
CHEMISTRY OF MATERIALS, 23(18), 4181–4185.
2011 journal article
Density Functional Theory Analysis of the Interplay between Jahn-Teller Instability, Uniaxial Magnetism, Spin Arrangement, Metal-Metal Interaction, and Spin-Orbit Coupling in Ca3CoMO6 (M = Co, Rh, Ir)
INORGANIC CHEMISTRY, 50(5), 1758–1766.
2011 journal article
Density functional analysis of the electronic structure of Cs9InO4: Evidence for the presence of a Cs- anion
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 226(7), 553–556.
2011 journal article
Dimers of Ag2+ Ions - Synthesis and Characterization of the Quaternary Silver Fluoride Ag2ZnZr2F14 with [Ag2F7](3-) Units
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 637(9), 1118–1121.
2011 journal article
Facile in situ synthesis of visible-light plasmonic photocatalysts M@TiO2 (M = Au, Pt, Ag) and evaluation of their photocatalytic oxidation of benzene to phenol
Journal of Materials Chemistry, 21(25), 9079–9087.
2011 journal article
Facile synthesis of Zn-rich (GaN)(1-x)(ZnO)(x) solid solutions using layered double hydroxides as precursors
Journal of Materials Chemistry, 21(12), 4562–4567.
2011 journal article
General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
PHYSICAL REVIEW LETTERS, 107(15).
2011 journal article
Half-Metallic Dirac Point in B-Edge Hydrogenated BN Nanoribbons
JOURNAL OF PHYSICAL CHEMISTRY C, 115(35), 17252–17254.
2011 journal article
Intriguing Interconnections Among Phase Transition, Magnetic Moment, and Valence Disproportionation in 2H-Perovskite Related Oxides
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133(51), 20981–20994.
2011 review
Metal Anions in Metal-Rich Compounds and Polar Intermetallics
[Review of ]. European Journal of Inorganic Chemistry, (26), 3841–3847.
2011 journal article
Neutron scattering and mu SR investigations of quasi-one-dimensional magnetism in the spin=3/2 compound Li3RuO4
PHYSICAL REVIEW B, 84(17).
2011 journal article
On the High Magnetic-Ordering Temperature of the 5d Magnetic Oxide Ca3LiOsO6 Crystallizing in a Trigonal Crystal Structure: Density Functional Analysis
INORGANIC CHEMISTRY, 50(9), 4182–4186.
2011 journal article
On the Magnetic Insulating States, Spin Frustration, and Dominant Spin Exchange of the Ordered Double-Perovskites Sr2CuOsO6 and Sr2NiOsO6: Density Functional Analysis
INORGANIC CHEMISTRY, 50(9), 4142–4148.
2011 journal article
On the Nature of the Spin Frustration in the CuO2 Ribbon Chains of LiCuVO4: Crystal Structure Determination at 1.6 K, Magnetic Susceptibility Analysis, and Density Functional Evaluation of the Spin Exchange Constants
INORGANIC CHEMISTRY, 50(8), 3582–3588.
2011 journal article
Predicting the spin-lattice order of frustrated systems from first principles
PHYSICAL REVIEW B, 84(22).
2011 journal article
Pressure-Induced Local Structure Distortions in Cu(pyz)F-2(H2O)(2)
INORGANIC CHEMISTRY, 50(13), 6347–6352.
2011 journal article
Quasi-one-dimensional antiferromagnetism and multiferroicity in CuCrO4
PHYSICAL REVIEW B, 84(1).
2011 journal article
Single-ion anisotropy, Dzyaloshinskii-Moriya interaction, and negative magnetoresistance the spin-1/2 pyrochlore R2V2O7
PHYSICAL REVIEW B, 83(17).
2011 journal article
Spin-Peierls transition in the S=1/2 compound TiPO4 featuring large intrachain coupling
PHYSICAL REVIEW B, 83(18).
2011 journal article
Spin/Charge Redistributions and Oxygen Atom Displacements Induced by Spin Flip and Hole Doping in the CuO2 Layer of High-Temperature Superconductors
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 25(1), 55–59.
2011 journal article
Structural, Electronic, and Magnetic Properties of Quasi-1D Quantum Magnets [Ni(HF2)(pyz)(2)]X (pyz = pyrazine; X = PF6-, SbF6-) Exhibiting Ni-FHF-Ni and Ni-pyz-Ni Spin Interactions
INORGANIC CHEMISTRY, 50(13), 5990–6009.
2011 journal article
Synthesis and Characterization of Di- and Trivalent Pyrazolylborate beta-Diketonates and Cyanometalates
INORGANIC CHEMISTRY, 50(11), 5153–5164.
2011 journal article
[Cu(HF2)(2)(pyrazine)](n): A Rectangular Antiferromagnetic Lattice with a Spin Exchange Path Made Up of Two Different FHF- Bridges
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 50(7), 1573–1576.
2010 journal article
Amino acid-assisted synthesis of ZnO twin-prisms and functional group's influence on their morphologies
JOURNAL OF ALLOYS AND COMPOUNDS, 507(1), 326–330.
2010 journal article
Analysis of the Magnetic Structure and Ferroelectric Polarization of Monoclinic MnSb2S4 by Density Functional Theory Calculations
INORGANIC CHEMISTRY, 49(23), 10956–10959.
2010 journal article
Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped Hexagonal Cobaltites
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(13), 4865–4875.
2010 journal article
Enhanced Critical Temperature in a Dual-Layered Molecular Superconductor
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(46), 16308–16310.
2010 journal article
Ferrimagnetism in zigzag graphene nanoribbons induced by main-group adatoms
Applied Physics Letters, 96(10).
2010 journal article
Ferroelectricity in Perovskites with s(0) A-Site Cations: Toward Near-Room-Temperature Multiferroics
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 49(9), 1603–1606.
2010 journal article
Ferromagnetically Coupled Shastry-Sutherland Quantum Spin Singlets in (CuCl)LaNb2O7
PHYSICAL REVIEW LETTERS, 105(16).
2010 journal article
Finite Magnetization Plateau from a Two-Dimensional Antiferromagnet: Density Functional Analysis of the Magnetic Structure of Cu-3(P2O6OH)(2)
INORGANIC CHEMISTRY, 49(20), 9253–9256.
2010 journal article
First Structurally Characterized Tricyanomanganate(III) and its Magnetic {(Mn2M2II)-M-III} Complexes (M-II = Mn, Ni)
INORGANIC CHEMISTRY, 49(11), 4753–4755.
2010 journal article
Half-Metallic Ferromagnetism and Large Negative Magnetoresistance in the New Lacunar Spinel GaTi3VS8
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(16), 5704–5710.
2010 journal article
Magnetic excitations in infinite-layer antiferromagnetic insulator
Journal of the Physical Society of Japan, 79(3).
2010 journal article
Magneto-optical properties and charge-spin coupling in the molecular (2,3-dmpyH)(2)CuBr4 spin-ladder material
PHYSICAL REVIEW B, 81(5).
2010 journal article
On the Importance of the Interplaquette Spin Exchanges in Na3RuO4: Density Functional Theory Analysis of the Spin Exchange and Magnetic Properties
INORGANIC CHEMISTRY, 49(6), 3025–3028.
2010 journal article
Orbital order and partial electronic delocalization in a triangular magnetic metal Ag2MnO2
PHYSICAL REVIEW B, 81(9).
2010 journal article
Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO
Applied Physics Letters, 97(12).
2010 journal article
Quantum confinement effect on the vacancy-induced spin polarization in carbon, silicon, and germanium nanoparticles: Density functional analysis
Applied Physics Letters, 96(6).
2010 journal article
Short-range magnetic order and temperature-dependent properties of cupric oxide
Journal of Physics. Condensed Matter, 22(4).
2010 journal article
Spin-lattice interactions through the quantum critical transition in Cu(pyz)(NO3)(2)
PHYSICAL REVIEW B, 81(10).
2010 journal article
Synthesis and Characterization of the Crystal Structure and Magnetic Properties of the Ternary Manganese Vanadate NaMnVO4
INORGANIC CHEMISTRY, 49(18), 8578–8582.
2010 journal article
Synthesis and optical properties of amorphous C-Si-O particles
JOURNAL OF LUMINESCENCE, 131(2), 218–224.
2010 journal article
Synthesis of Anatase TiO2 Tubular Structures Microcrystallites with a High Percentage of {001} Facets by a Simple One-Step Hydrothermal Template Process
CHEMISTRY-A EUROPEAN JOURNAL, 16(24), 7106–7109.
2010 conference paper
The layered ferromagnet Cs2AgF4: Antiferromagnetic inter-layer coupling driven by magnetic dipole-dipole interactions
Zeitschrift fur Kristallographie, 225(11), 498–503.
2010 journal article
Theoretical Analysis of the Spin Exchange and Magnetic Dipole-Dipole Interactions Leading to the Magnetic Structure of Ni3TeO6
INORGANIC CHEMISTRY, 49(16), 7545–7548.
2010 journal article
Theoretical Investigation of the Magnetic Structure and Ferroelectric Polarization of the Multiferroic Langasite Ba3NbFe3Si2O14
CHEMISTRY OF MATERIALS, 22(18), 5290–5295.
2010 journal article
Thermodynamically stable single-side hydrogenated graphene
PHYSICAL REVIEW B, 82(16).
2010 journal article
pi-Back-Donation Effect of the Cyanide Ligands on the Electron Correlation and Charge Transfer in Prussian Blue RbMn[Fe(CN)(6)]
INORGANIC CHEMISTRY, 49(7), 3086–3088.
2009 journal article
"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation
NANO LETTERS, 9(12), 4025–4030.
2009 article
A striking transition
Whangbo, M.-H., & Koehler, J. (2009, August). NATURE CHEMISTRY, Vol. 1, pp. 351–352.
2009 journal article
Ag/AgBr/WO3 center dot H2O: Visible-Light Photocatalyst for Bacteria Destruction
INORGANIC CHEMISTRY, 48(22), 10697–10702.
2009 journal article
Analysis of Electronic Structures and Chemical Bonding of Metal-rich Compounds. 2. Presence of Dimer (T-T)(4-) and Isolated T2- Anions in the Polar Intermetallic Cr5B3-Type Compounds AE(5)T(3) (AE = Ca, Sr; T = Au, Ag, Hg, Cd, Zn)
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 636(1), 36–40.
2009 journal article
Characterization of the Antiferromagnetism in Ag(pyz)(2)(S2O8) (pyz = Pyrazine) with a Two-Dimensional Square Lattice of Ag2+ Ions
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(13), 4590-+.
2009 journal article
Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds
INORGANIC CHEMISTRY, 48(16), 7650–7658.
2009 journal article
Consequences of the intrachain dimer-monomer spin frustration and the interchain dimer-monomer spin exchange in the diamond-chain compound azurite Cu-3(CO3)(2)(OH)(2)
Journal of Physics. Condensed Matter, 21(39).
2009 journal article
Cooperative Jahn-Teller distortion leading to the spin-1/2 uniform antiferromagnetic chains in triclinic perovskites AgCuF3 and NaCuF3
SOLID STATE SCIENCES, 12(5), 680–684.
2009 journal article
Density Functional Characterization of the Visible-Light Absorption in Substitutional C-Anion- and C-Cation-Doped TiO2
JOURNAL OF PHYSICAL CHEMISTRY C, 113(6), 2624–2629.
2009 journal article
Density Functional Investigation of the Antiferromagnetic Ordering, Spin Orientation, and Ferroelectric Polarization of Rare-Earth Iron Borate TbFe3(BO3)(4)
CHEMISTRY OF MATERIALS, 21(12), 2534–2539.
2009 journal article
Density functional investigation of the magnetic properties of PbMBO4 (M = Cr, Mn, Fe)
SOLID STATE COMMUNICATIONS, 149(15-16), 602–604.
2009 journal article
Density functional studies of the magnetic properties in nitrogen doped TiO2
CHEMICAL PHYSICS LETTERS, 481(1-3), 99–102.
2009 journal article
Density-functional analysis of spin exchange and ferroelectric polarization in AgCrO2
PHYSICAL REVIEW B, 80(10).
2009 journal article
Description of Anhydrous (Black) Dioptase as a S=1/2 Uniform Antiferromagnetic Chain System
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 636(1), 54–61.
2009 journal article
Effect of Magnetic Dipole-Dipole Interactions on the Spin Orientation and Magnetic Ordering of the Spin-Ladder Compound Sr3Fe2O5
INORGANIC CHEMISTRY, 48(19), 9051–9053.
2009 journal article
Effect of Nonmagnetic Substituents Mg and Zn on the Phase Competition in the Multiferroic Antiferromagnet MnWO4
CHEMISTRY OF MATERIALS, 21(21), 5203–5214.
2009 journal article
Ferromagnetism of undoped GaN mediated by through-bond spin polarization between nitrogen dangling bonds
Applied Physics Letters, 94(16).
2009 journal article
Highly Efficient Photocatalyst: TiO2 Microspheres Produced from TiO2 Nanosheets with a High Percentage of Reactive {001} Facets
CHEMISTRY-A EUROPEAN JOURNAL, 15(46), 12576–12579.
2009 journal article
Highly Efficient Visible-Light Plasmonic Photocatalyst Ag@AgBr
CHEMISTRY-A EUROPEAN JOURNAL, 15(8), 1821–1824.
2009 journal article
Incommensurate spin correlation driven by frustration in BiCu2PO6
PHYSICAL REVIEW B, 80(18).
2009 journal article
Interplay between Jahn-Teller instability, uniaxial magnetism, and ferroelectricity in Ca3CoMnO6
PHYSICAL REVIEW B, 79(5).
2009 journal article
Magnetic Interactions of the 15-Electron Nb6F12 Clusters in Nb6F15
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 635(15), 2396–2398.
2009 journal article
Magnetic ordering in the frustrated Heisenberg chain system cupric chloride CuCl2
PHYSICAL REVIEW B, 80(2).
2009 journal article
Magnetic states of zigzag graphene nanoribbons from first principles
Applied Physics Letters, 94(22).
2009 journal article
Magnetic structure and ferroelectric polarization of MnWO4 investigated by density functional calculations and classical spin analysis
PHYSICAL REVIEW B, 80(10).
2009 journal article
Magnetism of semiconductor-based magnetic tunnel junctions under electric field from first principles
Applied Physics Letters, 94(25).
2009 journal article
Magnetoelastic Coupling through the Antiferromagnet-to-Ferromagnet Transition of Quasi-Two-Dimensional [Cu(HF2)(pyz)(2)]BF4 Using Infrared Spectroscopy
PHYSICAL REVIEW LETTERS, 103(15).
2009 journal article
Origin of the Ising ferrimagnetism and spin-charge coupling in LuFe2O4
PHYSICAL REVIEW B, 80(13).
2009 journal article
Selective ethanol formation from photocatalytic reduction of carbon dioxide in water with BiVO4 photocatalyst
CATALYSIS COMMUNICATIONS, 11(3), 210–213.
2009 journal article
Site preference of Eu2+ dopants in the (Ba,Sr)(13-x)Al22-2xSi10+2xO66 phosphor and its effect on the luminescence properties: a density functional investigation
JOURNAL OF MATERIALS CHEMISTRY, 19(48), 9170–9175.
2009 journal article
Spin dimer and mapping analyses of the magnetic properties of VO(CH3CO2)(2) and VO(OCH2CH2O)
SOLID STATE SCIENCES, 12(5), 685–690.
2009 journal article
Spin fluctuations and orbital ordering in quasi-one-dimensional alpha-Cu(dca)(2)(pyz) {dca = dicyanamide = N(CN)(2)(-); pyz = pyrazine}, a molecular analogue of KCuF3
POLYHEDRON, 29(1), 514–520.
2009 journal article
Strong H center dot center dot center dot F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF2)(pyrazine)(2)]SbF6, [Cu2F(HF)(HF2)(pyrazine)(4)](SbF6)(2), and [CuAg(H3F4)(pyrazine)(5)](SbF6)(2)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(19), 6733–6747.
2009 journal article
Symmetry-Dependent Strong Reduction of the Spin Exchange Interactions in Cs2CuCl4 by the 6p Orbitals of Cs+ Ions
INORGANIC CHEMISTRY, 48(9), 4165–4170.
2009 journal article
Synthesis and Magnetic Properties of Ba2Mn2Si2O9: the First Example of S=2 Spin-Dimer with Spin-Singlet Ground
CHEMISTRY-AN ASIAN JOURNAL, 4(10), 1530–1535.
2008 journal article
Ag@AgCl: A highly efficient and stable photocatalyst active under visible light
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 47(41), 7931–7933.
2008 journal article
Analysis of electronic structures and chemical bonding of metal-rich compounds. I. Density functional study of Pt metal, LiPt2, LiPt, and Li2Pt
JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2154–2160.
2008 journal article
Characterization of the magnetic and structural properties of copper carbodiimide, CuNCN, by neutron diffraction and first-principles evaluations of its spin exchange interactions
JOURNAL OF PHYSICAL CHEMISTRY C, 112(29), 11013–11017.
2008 journal article
Charge Order in LuFe2O4: Antiferroelectric Ground State and Coupling to Magnetism
PHYSICAL REVIEW LETTERS, 101(22).
2008 journal article
Composite semiconductor H2WO4 center dot H2O/AgCl as an efficient and stable photocatalyst under visible light
Chemistry (Weinheim An Der Bergstrasse, Germany), 14(34), 10543–10546.
2008 journal article
Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn-Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)(2)](2)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(2), 404-+.
2008 journal article
Density Functional Characterization of the Band Edges, the Band Gap States, and the Preferred Doping Sites of Halogen-Doped TiO2
CHEMISTRY OF MATERIALS, 20(20), 6528–6534.
2008 journal article
Determination of the spin-lattice relevant for the quaternary magnetic oxide Bi4Cu3V2O14 on the basis of tight-binding and density functional calculations
INORGANIC CHEMISTRY, 47(11), 4779–4784.
2008 journal article
Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems
JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2187–2209.
2008 journal article
Electronic structure study of the [Ag-Ag](4-), [Au-Au](4-), and [Hg-Hg](2-) zintl anions in the intermetallic compounds Yb3Ag2, Ca5Au4, and Ca3Hg2: Transition metal anions as p-metal elements
CHEMISTRY OF MATERIALS, 20(8), 2751–2756.
2008 journal article
Enhanced Ferromagnetism and Tunable Saturation Magnetization of Mn/C-Codoped GaN Nanostructures Synthesized by Carbothermal Nitridation
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130(48), 16366–16373.
2008 journal article
Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)(2)(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths
CHEMISTRY OF MATERIALS, 20(24), 7408–7416.
2008 journal article
Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9 and Pb(2)AS(2)VO(9)
CHEMISTRY OF MATERIALS, 20(22), 6929–6938.
2008 journal article
Investigation of the scanning tunneling microscopy image, the stacking pattern and the bias-voltage dependent structural imstability of 2,2'-bipyridine molecules adsorbed on Au(111) in terms of electronic structure calculations
Bulletin of the Korean Chemical Society, 29(2), 438–444.
2008 journal article
Kinetics of Coloration in Photochromic Organoammonium Polyoxomolybdates
INORGANIC CHEMISTRY, 48(2), 574–580.
2008 journal article
Late transition metal anions acting as p-metal elements
SOLID STATE SCIENCES, 10(4), 444–449.
2008 journal article
On the anisotropy of the magnetic properties of CsYbZnSe3
INORGANIC CHEMISTRY, 47(5), 1687–1692.
2008 journal article
On the cyclability of the thermochromism in CuMoO4 and its tungsten derivatives CuMo1-xWxO4 (x < 0.12)
On the cyclability of the thermochromism in CuMoO4 and its tungsten derivatives CuMo1-xWxO4 (x < 0.12). CHEMISTRY OF MATERIALS, 20(6), 2075–2077.
2008 journal article
On the possibility of ferromagnetism in carbon-doped anatase TiO2
Applied Physics Letters, 93(13).
2008 journal article
Origin of the structural and magnetic anomalies of the layered compound SrFeO2: A density functional investigation
PHYSICAL REVIEW LETTERS, 100(16).
2008 journal article
Spin-orbit coupling and ion displacements in multiferroic TbMnO(3)
PHYSICAL REVIEW LETTERS, 101(3).
2008 journal article
Structure and magnetic properties of oxychalcogenides A(2)F(2)Fe(2)OQ(2) (A = sr, ba; Q = s, se) with Fe2O square planar layers representing an antiferromagnetic checkerboard spin lattice
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130(26), 8261–8270.
2007 journal article
Absence of a spiral magnetic order in Li2CuO2 containing one-dimensional CuO2 ribbon chains
PHYSICAL REVIEW B, 76(22).
2007 journal article
Analysis of the spin lattice model for the spin-gapped layered compounds Na3Cu2SbO6 and Na2Cu2TeO6 on the basis of electronic structure calculations
INORGANIC CHEMISTRY, 47(1), 128–133.
2007 journal article
Charge order and the origin of giant magnetocapacitance in LuFe2O4
PHYSICAL REVIEW LETTERS, 98(24).
2007 journal article
Charge order superstructure with integer iron valence in Fe2OBO3
PHYSICAL REVIEW LETTERS, 99(8).
2007 article
Concept of optical channel as a guide for tuning the optical properties of insulating materials
Rocquefelte, X., Jobic, S., & Whangbo, M.-H. (2007, July). SOLID STATE SCIENCES, Vol. 9, pp. 600–603.
2007 journal article
Cooperative effect of electron correlation and spin-orbit coupling on the electronic and magnetic properties of Ba2NaOsO6
PHYSICAL REVIEW B, 75(5).
2007 journal article
Density-functional characterization of the multiferroicity in spin spiral chain cuprates
PHYSICAL REVIEW LETTERS, 99(25).
2007 journal article
First-principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca3Mn2O7
PHYSICAL REVIEW B, 76(5).
2007 journal article
Incommensurate charge order phase in Fe2OBO3 due to geometrical frustration
PHYSICAL REVIEW LETTERS, 99(25).
2007 journal article
IrIn7GeO8=[IrIn6](GeO4)(InO4) and compounds of the solid solution series [IrIn6](Ge1+xIn1-4x/O-3(8)) (0 <= x <= 0.75): First oxides containing [IrIn6] octahedra
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(9), 1464–1471.
2007 journal article
Magnetic properties of synthetic libethenite Cu2PO4OH: a new spin-gap system
INORGANIC CHEMISTRY, 46(21), 8684–8689.
2007 journal article
On the correct spin lattice for the spin-gapped magnetic solid NH4CuPO4 center dot H2O
JOURNAL OF SOLID STATE CHEMISTRY, 181(2), 276–281.
2007 journal article
On the electronic structure required for the uniaxial magnetic properties of the magnetic metal SrCo6O11
CHEMISTRY OF MATERIALS, 19(11), 2712–2714.
2007 journal article
On the origin of a band gap in compounds of diamond-like structures
INORGANIC CHEMISTRY, 46(6), 1957–1959.
2007 article
On the phosphorescence mechanism in SrAl2O4 : Eu2+ and its codoped derivatives
Clabau, F., Rocquefelte, X., Jobic, S., Deniard, P., Whangbo, M.-H., Garcia, A., & Le Mercier, T. (2007, July). SOLID STATE SCIENCES, Vol. 9, pp. 608–612.
2007 journal article
On the relevance of an antiferromagnetic dimer model for the spin-gapped magnetic solids Cu(terpy)Mo2O7 and Cu(OH)(p-pyc)H2O
INORGANIC CHEMISTRY, 46(7), 2498–2502.
2007 journal article
Predicting anisotropic electrical conductivities of a magnetic insulator on the basis of its magnetic properties
CHEMISTRY OF MATERIALS, 19(18), 4393–4395.
2007 journal article
Resolving the aluminum ordering in aluminosilicates by a combined experimental/theoretical study of Al-27 electric field gradients
INORGANIC CHEMISTRY, 46(14), 5456–5458.
2007 journal article
Spin dimer analysis of the magnetic structures of A(2)V(3)O(9) (A = Ba, Sr) and eta-Na9V14O35: Importance of the V4+-O center dot center dot center dot O-V4+ super- superexchange interactions mediated by the O-V5+-O bridges
SOLID STATE SCIENCES, 9(9), 824–832.
2007 journal article
Structural and magnetic properties of a new type of ordered oxygen-deficient perovskite, KMnVO4
CHEMISTRY OF MATERIALS, 19(23), 5563–5569.
2007 journal article
Stuffed graphite-like vs. stuffed diamond-like structures of the 18 valence electron compounds REAuSn (RE = sc, y, la-nd, sm, gd-lu)
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(15), 2631–2634.
2007 journal article
Tight-binding electronic structure study of the beta '- and beta ''-phases of the organic conducting salts (BEDT-TTF)(2)(IBr2)(0.2)(BrICI)(0.1)(ICI2)(0.7)]
Bulletin of the Korean Chemical Society, 28(2), 241–245.
2006 journal article
Characterization of the crystal and magnetic structures of the mixed-anion coordination polymer Cu(HCO2)(NO3)(pyz) {pyz = pyrazine} by X-ray diffraction, ac magnetic susceptibility, dc magnetization, muon-spin relaxation, and spin dimer analysis
INORGANIC CHEMISTRY, 46(1), 213–220.
2006 journal article
Comparison of the crystal structures and magnetic properties of the low- and high-temperature forms of AgCuPO4: Crystal structure determination, magnetic susceptibility measurements, and spin dimer analysis
INORGANIC CHEMISTRY, 45(14), 5501–5509.
2006 journal article
Electronic structure analysis of the difference between Cs2AgF4 and Rb2MnF4 in their magnetic properties and single-crystal structure determination of Rb2MnF4
CHEMISTRY OF MATERIALS, 18(14), 3281–3286.
2006 journal article
First principles investigation of the electronic structure of La2MnNiO6: An insulating ferromagnet
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 308(1), 116–119.
2006 journal article
Formulation of phosphorescence mechanisms in inorganic solids based on a new model of defect conglomeration
CHEMISTRY OF MATERIALS, 18(14), 3212–3220.
2006 journal article
Importance of the O-M-O bridges (M = V5+, Mo6+) for the spin-exchange interactions in the magnetic oxides of Cu2+ ions bridged by MO4 tetrahedra: Spin-lattice models of Rb2Cu2(MoO4)(3), BaCu2V2O8, and KBa3Ca4Cu3V7O28
INORGANIC CHEMISTRY, 45(11), 4440–4447.
2006 journal article
On the conflicting pictures of magnetism for the frustrated triangular lattice antiferromagnet CuFeO2
CHEMISTRY OF MATERIALS, 18(5), 1268–1274.
2006 journal article
On the disorder of the Cl atom position in and its probable effect on the magnetic properties of (CuCl)LaNb2O7
INORGANIC CHEMISTRY, 45(16), 6227–6234.
2006 journal article
On the origin of the metallic and anisotropic magnetic properties of NaxCoO2 (x approximate to 0.75)
INORGANIC CHEMISTRY, 45(15), 5989–5995.
2006 journal article
On the volume-dependence of the index of refraction from the viewpoint of the complex dielectric function and the Kramers-Kronig relation
JOURNAL OF PHYSICAL CHEMISTRY B, 110(6), 2511–2514.
2006 journal article
Spin dimer analysis of the magnetic structures of Ba3Cr2O8, Ba3Mn2O8, Na4FeO4, and Ba2CoO4 with a three-dimensional network of isolated MO4 (M = Cr, Mn, Fe, Co) tetrahedra
INORGANIC CHEMISTRY, 45(26), 10743–10749.
2006 journal article
Structural and magnetic dimers in the spin-gapped system CuTe2O5
PHYSICAL REVIEW B, 74(17).
2006 journal article
Structural model of planar defects in CaCu3Ti4O12 exhibiting a giant dielectric constant
CHEMISTRY OF MATERIALS, 18(14), 3257–3260.
2006 journal article
Synthesis, structure, and properties of a new family of mixed-framework chalcohalide semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
CHEMISTRY OF MATERIALS, 18(5), 1219–1225.
2006 journal article
Transition-metal anions in solids and their implications on bonding
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 45(44), 7465–7469.
2006 journal article
[Cu(HF2)(pyz)(2)]BF4 (pyz=pyrazine): long-range magnetic ordering in a pseudo-cubic coordination polymer comprised of bridging HF2- and pyrazine ligands
Chemical Communications (Cambridge, England), (47), 4894–4896.
2005 journal article
Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi-2(2-) anion in (K-crypt)(2)Bi-2 on the basis of relativistic electronic structure calculations
JOURNAL OF PHYSICAL CHEMISTRY A, 109(8), 1675–1683.
2005 journal article
Analysis of the refractive indices of TiO2, TiOF2, and TiF4: Concept of optical channel as a guide to understand and design optical materials
INORGANIC CHEMISTRY, 44(10), 3589–3593.
2005 journal article
Analysis of the spin exchange interactions and the ordered magnetic structures of lithium transition metal phosphates LiMPO4 (M = Mn, Fe, Co, Ni) with the olivine structure
INORGANIC CHEMISTRY, 44(7), 2407–2413.
2005 journal article
Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: Uniaxial magnetic properties of Ca3Co2O6 and Fe[C(SiMe3)(3)](2)
INORGANIC CHEMISTRY, 44(12), 4407–4414.
2005 journal article
Bonding and oxidation state of a transition metal atom encapsulated in an isolated octahedral cluster cation of main group elements: Synthesis, crystal structure, and electronic structure of Pt2In14Ga3O8F15 containing highly positive 18-electron complex [PtIn6](10+) and low-valent in(+) ions
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(7), 2277–2284.
2005 journal article
Dramatic variation of magnetic exchange through double end-on azide bridges in a series of ladder-like copper(II) coordination polymers
INORGANIC CHEMISTRY, 44(3), 638–648.
2005 journal article
Importance of supersuperexchange interactions in determining the dimensionality of magnetic properties. Determination of strongly interacting spin exchange paths in A(2)CU(PO4)(2) (A = Ba, Sr), ACuP(2)O(7) (Ba, Ca, Sr, Pb), CaCuGe2O6, and Cu2UO2(PO4)(2) on the basis of qualitative spin dimer analysis
INORGANIC CHEMISTRY, 44(12), 4359–4365.
2005 journal article
Investigation of the crystal structure and the structural and magnetic properties of SrCu2(PO4)(2)
INORGANIC CHEMISTRY, 44(19), 6632–6640.
2005 journal article
Investigation of the scanning tunneling microscopy image, the stacking pattern, and the bias-voltage-dependent structural instability of 1,10 '-phenanthroline molecules adsorbed on Au(111) in terms of electronic structure calculations
JOURNAL OF PHYSICAL CHEMISTRY B, 109(32), 15322–15326.
2005 journal article
Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2
CHEMISTRY OF MATERIALS, 17(25), 6338–6341.
2005 journal article
Mechanism of phosphorescence appropriate for the long-lasting phosphors Eu2+-doped SrAl2O4 with codopants Dy3+ and B3+
CHEMISTRY OF MATERIALS, 17(15), 3904–3912.
2005 journal article
Observation of unusual hysteretic magnetic properties of the rare earth intermetallic compound PrMnSi2: Magnetic susceptibility, magnetization, heat capacity, and electronic band structure studies
CHEMISTRY OF MATERIALS, 17(14), 3711–3716.
2005 journal article
Spin dimer and electronic band structure analyses of the ferromagnetism versus antiferromagnetism in SeCuO3 and TeCuO3
CHEMISTRY OF MATERIALS, 17(17), 4350–4355.
2005 journal article
Spin dimer, electronic band structure and classical spin analyses of spin exchange interactions and ordered magnetic structures of magnetic solids
SOLID STATE SCIENCES, 7(7), 827–852.
2005 journal article
Structural and electronic factors controlling the refractive indices of the chalcogenides ZnQ and CdQ (Q = O, S, Se, Te)
INORGANIC CHEMISTRY, 44(10), 3594–3598.
2005 journal article
Synthesis and characterization of [PtIn6](GeO4)(2)O and its solid solution [PtIn6](GaO4)(2-x)(GeO4)(x)O-x/2 (0 <= x <= 2): Gradual color change of the solid solution from black (x=0) to yellow (x=2) as a consequence of quantum dot effect
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(37), 12990–12996.
2005 journal article
Synthesis, crystal structure, magnetic properties, and electronic structure of the new ternary vanadate CuMnVO4
INORGANIC CHEMISTRY, 44(9), 3087–3093.
2005 journal article
Synthesis, structure, and magnetic properties of the layered copper(II) oxide Na2Cu2TeO6
INORGANIC CHEMISTRY, 44(14), 5042–5046.
2005 journal article
Understanding low-energy magnetic excitations and hydrogen bonding in VOHPO4 center dot(2H2O)-H-1
PHYSICAL REVIEW B, 72(21).
2005 journal article
Understanding the color properties of (C5H9NH3)(2)CuBr4 in high magnetic fields
PHYSICAL REVIEW B, 71(17).
2005 journal article
Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysis
CHEMISTRY OF MATERIALS, 17(17), 4344–4349.
2005 journal article
Why pressure induces an abrupt structural rearrangement in PdTe2 but not in PtTe2
JOURNAL OF SOLID STATE CHEMISTRY, 178(6), 2008–2014.
2004 journal article
Classical spin and quantum-mechanical descriptions of geometric spin frustration
JOURNAL OF CHEMICAL PHYSICS, 121(2), 672–680.
2004 journal article
Experimental and theoretical characterization of the optical properties of CeO2, SrCeO3, and Sr2CeO4 containina Ce4+ (f(0)) ions
CHEMISTRY OF MATERIALS, 16(4), 662–669.
2004 journal article
Experimental and theoretical investigation on the relative stability of the PdS2- and pyrite-type structures of PdSe2
Inorganic Chemistry, 43(6), 1943–1949.
2004 journal article
Investigation of the electronic and structural properties of potassium hexaboride, KB6, by transport, magnetic susceptibility, EPR, and NMR measurements, temperature-dependent crystal structure determination, and electronic band structure calculations
INORGANIC CHEMISTRY, 43(16), 4974–4987.
Contributors: A. Ammar *, M. Ménétrier*, A. Villesuzanne *, S. Matar *, B. Chevalier*, J. Etourneau *, G. Villeneuve*, J. Rodríguez-Carvajal *
2004 journal article
Investigation of the incommensurate and commensurate magnetic superstructures of LiCuVO4 and CuO on the basis of the isotropic spin exchange and classical spin approximations
INORGANIC CHEMISTRY, 43(13), 4026–4035.
2004 journal article
Investigation of the origin of the empirical relationship between refractive index and density on the basis of first principles calculations for the refractive indices of various TiO2 phases
INORGANIC CHEMISTRY, 43(7), 2246–2251.
2004 journal article
Investigation of the relative stabilities of various allotropic phases of elemental tellurium under pressure and their interconversion paths by electronic structure calculations and crystal structure analyses
JOURNAL OF SOLID STATE CHEMISTRY, 177(12), 4724–4731.
2004 journal article
Magneto-optical properties of Li0.9Mo6O17: Color change in applied magnetic field
PHYSICAL REVIEW B, 70(8).
2004 journal article
Reexamination of the magnetic properties of Cu-2(dca)(4)(2,5-me(2)pyz) {dca = dicyanamide; me(2)pyz = dimethylpyrazine}: isolated spin-1/2 dimers versus long-range magnetic ordering
INORGANIC CHEMISTRY, 43(13), 4007–4011.
2004 journal article
Spin dimer and classical spin analyses of the ordered magnetic structures of alkali iron pyrophosphates NaFeP2O7 and LiFeP2O7
Dalton Transactions (Cambridge, England : 2003), (19), 3019–3025.
2004 journal article
Synthesis and characterization of a magnetic semiconductor Na2RuO4 containing one-dimensional chains of RU6+
Inorganic Chemistry, 43(1), 07-.
2004 journal article
Synthesis, optical properties and electronic structures of polyoxometalates K3P(Mo1-xWx)(12)O-40 (0 <= x <= 1)
JOURNAL OF SOLID STATE CHEMISTRY, 177(12), 4528–4534.
2003 journal article
A discussion on the apparently puzzling structural, electrical and magnetic properties of BaVS3
JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 384–388.
2003 journal article
Analysis of the spin exchange interactions of ferromagnetic CdVO3 in terms of first principles and qualitative electronic structure calculations
JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 341–347.
2003 journal article
Cu(HCO2)(2)L {L = pyrazine, 4,4 '-bipyridine}: employing the formate anion as a building block in three-dimensional coordination polymers
DALTON TRANSACTIONS, (14), 2905–2911.
2003 journal article
Interpretation of the magnetic structures of Cu2Te2O5X2 (X = Cl, Br) and Ca3.1Cu0.9RuO6 on the basis of electronic structure considerations: Cases for strong super-superexchange interactions involving Cu2+ ions
Inorganic Chemistry, 42(12), 3898–3906.
2003 journal article
Investigation of the spin exchange interactions and magnetic structures of the CrVO4-type transition metal phosphates, sulfates, and vanadates by spin dimer analysis
INORGANIC CHEMISTRY, 42(19), 5932–5937.
2003 journal article
Investigations of the oxidation states and spin distributions in Ca3Co2O6 and Ca3CoRhO6 by spin-polarized electronic band structure calculations
SOLID STATE COMMUNICATIONS, 125(7-8), 413–417.
2003 journal article
Magnetic superstructures of cupric oxide CuO as ordered arrangements of one-dimensional antiferromagnetic chains
INORGANIC CHEMISTRY, 42(4), 1187–1192.
2003 journal article
Metal-ligand bonding and rutile- versus CdI2-type structural preference in platinum dioxide and titanium dioxide
JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 353–358.
2003 review
Spin exchange interactions and magnetic structures of extended magnetic solids with localized spins: theoretical descriptions on formal, quantitative and qualitative levels
[Review of ]. JOURNAL OF SOLID STATE CHEMISTRY, 176(2), 417–481.
2003 journal article
Syntheses, structures, and optical properties of yellow Ce2SiS5, Ce6Si4S17, and Ce4Si3S12 materials
CHEMISTRY OF MATERIALS, 15(4), 828–837.
2003 article
Synthesis of the highly ID conductor (THTTF)(4)I-19
Montgomery, L. K., Starkey, K. P., Engel, D. B., Bollinger, J., Tittelbach, M., Schweitzer, D., … Whangbo, M. H. (2003, March 13). SYNTHETIC METALS, Vol. 133, pp. 381–383.
2003 journal article
Trends in metal-biradical exchange interaction for first-row M-II(nitronyl nitroxide-semiquinone) complexes
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 125(6), 1607–1617.
2003 journal article
Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ(2) (Q = O, S, Se, Te)
JOURNAL OF SOLID STATE CHEMISTRY, 173(1), 114–121.
2003 journal article
Unusual hysteresis in the magnetic susceptibility of cubic hexaboride KB6
INORGANIC CHEMISTRY, 42(14), 4242–4244.
2002 journal article
A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas)(2)](2)(2-): (BEDT-TTF)(2)[Fe(tdas)(2)] (tdas=1,2,5-thiadiazole-3,4-dithiolate)
JOURNAL OF MATERIALS CHEMISTRY, 12(12), 3570–3577.
2002 journal article
Analysis of the electron localization, the anisotropy of electrical conductivity, the orbital ordering, and spin-exchange interactions in BaVS3 on the basis of first principles and semi-empirical electronic structure calculations
JOURNAL OF SOLID STATE CHEMISTRY, 165(2), 345–358.
2002 journal article
Dimensionality effects on the optical properties of (PO2)(4)(WO3)(2m) (m=2, 4, 6, 7)
CHEMISTRY OF MATERIALS, 14(6), 2607–2615.
2002 journal article
Effect of metal-ligand bond lengths on superexchange interactions in Jahn-Teller d(4) ion systems: Spin dimer analysis of the magnetic structure of marokite CaMn2O4
INORGANIC CHEMISTRY, 41(21), 5575–5581.
2002 journal article
Effect of metal-oxygen covalent bonding on the competition between Jahn-Teller distortion and charge disproportionation in the perovskites of high-spin d(4) metal ions LaMnO3 and CaFeO3
Inorganic Chemistry, 41(7), 1920–1929.
2002 journal article
Electrical resistivity, magnetic susceptibility, X-ray photoelectron spectroscopy, and electronic band structure studies of Cu-2.33-xV4O11
JOURNAL OF SOLID STATE CHEMISTRY, 166(2), 382–388.
2002 article
Electron paramagnetic resonance in the quasi-two dimensional magnetic ludwigite Fe3O2BO3
Dumas, J., Tholence, J. L., Continentino, M., Fernandes, J. C., Guimaraes, R. B., & Whangbo, M. H. (2002, November). JOURNAL DE PHYSIQUE IV, Vol. 12, pp. 351–354.
2002 journal article
Flux growth of vanadyl pyrophosphate, (VO)(2)P2O7, and spin dimer analysis of the spin exchange interactions of (VO)(2)P2O7 and vanadyl hydrogen phosphate, VO(HPO4)center dot 0.5H(2)O
INORGANIC CHEMISTRY, 41(18), 4664–4672.
2002 journal article
Local and spatial disorder in beta ''-(ET)(2)SF5RSO3 solid solutions (R = CH2CF2, CHF, CHFCF2)
CHEMISTRY OF MATERIALS, 14(7), 2969–2976.
2002 journal article
Magnetic properties of the low-dimensional cuprate Na5RbCu4(AsO4)(4)Cl-2
Physical Review. B, Condensed Matter and Materials Physics, 66(5), 052403–052401.
2002 journal article
Magnetic susceptibility and spin exchange interactions of the hexagonal perovskite-type oxides Sr-4/3(Mn2/3Ni1/3)O-3
JOURNAL OF SOLID STATE CHEMISTRY, 163(2), 513–518.
2002 journal article
Optical investigation of Na2V3O7 nanotubes
CHEMISTRY OF MATERIALS, 14(2), 924–930.
2002 journal article
Orbital interaction analysis of cooperative Jahn-Teller distortion, orbital ordering, spin ordering, and spin exchange interactions in magnetic solids
SOLID STATE SCIENCES, 4(3), 335–346.
2002 journal article
Preparation, structure, and properties of a series of anisotropic oxychloride cluster compounds A(x)Nb(6)Cl(12)O(2) (A=K, Rb, Cs, or In)
JOURNAL OF ALLOYS AND COMPOUNDS, 338(1-2), 218–228.
2002 journal article
Spin dimer analysis of the spin exchange interactions in paramelaconite Cu4O3 and its analogue Ag2Cu2O3 and the spin ordering of the Cu2O3 spin lattice leading to their magnetic phase transitions
INORGANIC CHEMISTRY, 41(13), 3570–3577.
2002 review
Spin dimer analysis of the three-dimensional antiferromagnetic ordering in the quaternary manganese sulfides BaLn(2)MnS(5) (Ln = La, Ce, Pr)
[Review of ]. JOURNAL OF SOLID STATE CHEMISTRY, 169(2), 143–148.
2002 journal article
Spin exchange interactions of a spin dimer: Analysis of broken-symmetry spin states in terms of the eigenstates of Heisenberg and Ising spin Hamiltonians
JOURNAL OF CHEMICAL PHYSICS, 118(1), 29–39.
2002 journal article
Theoretical investigation of the spin exchange interactions and magnetic properties of the homometallic ludwigite Fe3O2BO3
INORGANIC CHEMISTRY, 41(8), 2193–2201.
2002 journal article
Trifluoromethylsulfonyl-based salts of BEDT-TTF: Crystal and electronic structures and physical properties
JOURNAL OF SOLID STATE CHEMISTRY, 168(2), 524–534.
2001 journal article
Consequence of the metal-atom clustering on the magnetic properties in vanadium sulfide V5S8
JOURNAL OF SOLID STATE CHEMISTRY, 160(1), 287–291.
2001 journal article
Crystal structure, physical properties and electronic structure of a new organic conductor beta ''-(BEDT-TTF)(2)SF5CHFCF2SO3
JOURNAL OF MATERIALS CHEMISTRY, 11(8), 2008–2013.
2001 journal article
Electronic structure study of scanning tunneling microscopy images of the rutile TiO2(110) surface and their implications on the surface relaxation
SURFACE SCIENCE, 473(3), 193–202.
2001 journal article
Electronic transitions in doped and undoped copper germanate
CHEMISTRY OF MATERIALS, 13(3), 939–944.
2001 journal article
Examination of the anisotropic spin exchange interactions of CuM2O6 (M = Sb, V, Nb) by spin dimer analysis
JOURNAL OF SOLID STATE CHEMISTRY, 156(1), 110–116.
2001 journal article
Influence of the metal-metal sigma bonding on the structures and physical properties of the hexagonal perovskite-type sulfides Sr9/8TiS3,Sr8/7TiS3, and Sr-8/7[Ti6/7Fe1/7]S-3
JOURNAL OF SOLID STATE CHEMISTRY, 162(1), 103–112.
2001 journal article
Infrared and optical properties of beta '-(ET)(2)SF5CF2SO3: Evidence for a 45 K spin peierls transition
CHEMISTRY OF MATERIALS, 13(4), 1326–1333.
2001 journal article
Investigation of the stiffness change in, the indentation force and the hydrophobic recovery of plasma-oxidized polydimethylsiloxane surfaces by tapping mode atomic force microscopy
POLYMER, 42(8), 3627–3632.
2001 journal article
On the origin of the root 7 x root 7 superstructure and the anomalous magnetic and transport properties of the layered compound Sr6V9S22O2
INORGANIC CHEMISTRY, 40(12), 2898–2904.
2001 journal article
On the structural and electronic factors governing the magnetic properties of the hexagonal perovskite-type oxides A(x)BO(3) (A = Ca, Sr, Ba; B = Co, Ni)
JOURNAL OF SOLID STATE CHEMISTRY, 160(1), 239–246.
2001 article
Optical studies of the beta ''-(ET)(2)SF5RSO3 (R=CH2CF2, CHFCF2 and CHF) system: chemical tuning of the counterion
Olejniczak, I., Jones, B. R., Dong, J., Pigos, J. M., Zhu, Z., Garlach, A. D., … Gard, G. L. (2001, March 15). SYNTHETIC METALS, Vol. 120, pp. 785–786.
2001 journal article
Spin dimer analysis for antiferromagnetic spin exchange interactions of magnetic solids with several unpaired electrons per spin site: Trends in the spin exchange parameters of the compounds consisting of MnF5 chains and CrX2 (X = O, S) layers
JOURNAL OF SOLID STATE CHEMISTRY, 156(2), 464–469.
2001 journal article
Spin dimer analysis of the anisotropic spin exchange interactions in the distorted wolframite-type oxides CuWO4, CuMoO4-III, and Cu(Mo0.25W0.(75))O-4
INORGANIC CHEMISTRY, 40(9), 2161–2169.
2001 journal article
Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions
JOURNAL OF CHEMICAL PHYSICS, 114(7), 2887–2893.
2001 journal article
Structural and electronic features of BaIrO3 causing the simultaneous occurrence of weak ferromagnetism and charge density wave formation
SOLID STATE COMMUNICATIONS, 118(10), 491–495.
2001 journal article
Theoretical study of possible iridium ditelluride phases attainable under high pressure
Journal of Solid State Chemistry, 162(1), 63–68.
2000 journal article
A unique distortion in K(1/3)Ba(2/3)AgTe(2): X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure
INORGANIC CHEMISTRY, 39(7), 1398–1409.
2000 journal article
Analysis of nearest-neighbor spin exchange interactions by molecular orbital calculations: anisotropic spin exchange interactions in MV3O7 (M = Cd, Ca, Sr) and alpha '-NaV2O5
Solid State Communications, 114(1), 27–32.
2000 journal article
Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3
JOURNAL OF SOLID STATE CHEMISTRY, 151(1), 96–101.
2000 journal article
Analysis of the spin exchange interactions in the three phases of vanadium pyrophosphate, (VO)(2)P2O7, in terms of spin-orbital interaction energy
INORGANIC CHEMISTRY, 39(16), 3599–3604.
2000 journal article
Distribution of the Pb and Sb atoms in the (Pb, Sb)S layers of the Franckeite-type misfit compound [(Pb, Sb)S](2.28)NbS2 examined by scanning tunneling and atomic force microscopy
JOURNAL OF SOLID STATE CHEMISTRY, 149(2), 370–377.
2000 journal article
Electronic band structure study of A(2)Mo(9)S(11) (A=K, Rb) and K1.8Mo9S11
JOURNAL OF SOLID STATE CHEMISTRY, 155(1), 124–128.
2000 journal article
Examination of butadiene/styrene-co-butadiene rubber blends by tapping mode atomic force microscopy. Importance of the indentation depth and reduced tip-sample energy dissipation in tapping mode atomic force microscopy study of elastomers
LANGMUIR, 16(13), 5702–5711.
2000 personal communication
Examination of the relationship between phase shift and energy dissipation in tapping mode atomic force microscopy by frequency-sweep and force-probe measurements
Bar, G., Brandsch, R., Bruch, M., Delineau, L., & Whangbo, M. H. (2000, January 1).
2000 personal communication
Harmonic responses of a cantilever interacting with elastomers in tapping mode atomic force microscopy
Delineau, L., Brandsch, R., Bar, G., & Whangbo, M. H. (2000, March 1).
2000 journal article
Hysteresis in the distance-sweep curves of elastomers and its implications in tapping mode atomic force microscopy
SURFACE SCIENCE, 457(1-2), L404–L412.
2000 journal article
Investigation of the spin exchange interactions in the nanotube system Na2V3O7 by spin dimer analysis
SOLID STATE COMMUNICATIONS, 115(12), 675–678.
2000 journal article
Investigations of the Fermi surface of a new organic metal: (BEDT-TTF)(4)[Ni(dto)(2)]
EUROPHYSICS LETTERS, 51(1), 82–88.
2000 journal article
Ligand influences on the structures of molybdenum oxide networks
Inorganic Chemistry, 39(19), 4311–4317.
2000 journal article
Long-range magnetic order in Mn[N(CN)(2)](2)(pyz) {pyz =pyrazine} susceptibility, magnetization, specific heat, and neutron diffraction measurements and electronic structure calculations
Journal of the American Chemical Society, 123(1), 162–172.
2000 journal article
Molecular self-assembly on surfaces of organic conducting salts: Epitaxial monolayer films of naphthalene on the (001) surface of (TMTSF)(2)PF6
JOURNAL OF PHYSICAL CHEMISTRY B, 104(31), 7394–7402.
2000 journal article
Optical spectra and electronic band structure calculations of beta ''-(ET)(2)SF5RSO3 (R = CH2CF2, CHFCF2, and CHF): Changing electronic properties by chemical tuning of the counterion
CHEMISTRY OF MATERIALS, 12(8), 2490–2495.
2000 journal article
Origin of the spin gap in sodium vanadium bronze Na9V14O35
SOLID STATE COMMUNICATIONS, 115(3), 115–119.
2000 journal article
Perspective on "An extended Huckel theory. I. Hydrocarbons" - Hoffmann R (1963) J Chem Phys 39 : 1397-1412
THEORETICAL CHEMISTRY ACCOUNTS, 103(3-4), 252–256.
2000 journal article
Polarized optical reflectance and electronic structure of the charge-density-wave materials eta- and gamma-Mo4O11
Physical Review. B, Condensed Matter and Materials Physics, 61(15), 10057–10065.
2000 journal article
Spin dimer analysis of the spin exchange interactions of the vanadium oxides AV(4)O(9) (A = Ca, Sr, Cs-2, NH2(CH2)(4)NH2)
JOURNAL OF SOLID STATE CHEMISTRY, 153(2), 263–269.
2000 journal article
Study of the 18-electron band gap and ferromagnetism in semi- Heusler compounds by nea-spin-polarized electronic band structure calculations
Journal of Molecular Structure [Including Theochem], 527(2000 Aug. 4), 113–119.
2000 journal article
Synthesis and crystal structure determination of a new pressure-induced iridium ditelluride phase, m-IrTe2, and comparison of the crystal structures and relative stabilities of various IrTe2 polymorphs
INORGANIC CHEMISTRY, 39(19), 4370–4373.
1999 journal article
Analysis of bonding and d-electron count in the transition-metal carbides and transition-metal-silicide carbides with discrete linear M-C-M units (M = Cr, Fe, Re) by electronic structure calculations
INORGANIC CHEMISTRY, 38(9), 2204–2210.
1999 journal article
Analysis of polarized optical excitations by electronic band structure calculations: organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3
SOLID STATE COMMUNICATIONS, 112(7), 403–407.
1999 journal article
Analysis of the spin-spin interactions in layered oxides alpha '-NaV2O5, CaV2O5 and MgV2O5 and the spin-Peierls distortion in alpha '-NaV2O5 by molecular orbital, Madelung energy and bond valence sum calculations
SOLID STATE COMMUNICATIONS, 111(7), 353–360.
1999 journal article
Calculations and analysis of the electronic structures of transition-metal phosphosilicides Cu4SiP8, IrSi3P3, CoSi3P3, and FeSi4P4
JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 11–18.
1999 journal article
Characterization of the RuS2(100) surface by scanning tunneling microscopy, atomic force microscopy, and near-edge X-ray absorption fine structure measurements and electronic band structure calculations
JOURNAL OF PHYSICAL CHEMISTRY B, 103(22), 4649–4655.
1999 journal article
Correlation between frequency-sweep hysteresis and phase imaging instability in tapping mode atomic force microscopy
SURFACE SCIENCE, 436(1-3), L715–L723.
1999 journal article
Determination of the Se atom distribution in the layered compound Nb-3(Se1-xIx)I-7 by scanning tunneling microscopy
European Journal of Inorganic Chemistry, (5), 785–787.
1999 journal article
Distribution of the Se atoms in the layered compound Nb-3(Se1-xIx)I-7 studied by scanning tunneling microscopy and electronic structure calculations
JOURNAL OF PHYSICAL CHEMISTRY B, 103(18), 3626–3633.
1999 personal communication
Effect of tip sharpness on the relative contributions of attractive and repulsive forces in the phase imaging of tapping mode atomic force microscopy
Bar, G., Brandsch, R., & Whangbo, M. H. (1999, February 22).
1999 journal article
Electronic structure of the organic conductors kappa-ET2Cu(SCN)(2) and kappa-ET2Cu[N(CN)(2)]Br studied using soft X-ray absorption and soft X-ray emission
JOURNAL OF SOLID STATE CHEMISTRY, 143(1), 1–8.
1999 journal article
Flexibility of the MPS4- chains of the KMPS4 (M = Ni, Pd) compounds studied by molecular orbital calculations and atomic force microscopy measurements
JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 235–239.
1999 article
High field optical response of eta-Mo4O11
Zhu, Z., Long, V. C., Musfeldt, J. L., Wei, X., Sarrao, J., Fisk, Z., … Whangbo, M. H. (1999, December). JOURNAL DE PHYSIQUE IV, Vol. 9, pp. 251–253.
1999 journal article
Importance of the indentation depth in tapping-mode atomic force microscopy study of compliant materials
APPLIED PHYSICS LETTERS, 75(26), 4198–4200.
1999 journal article
In-plane ESR microwave conductivity measurements and electronic band structure studies of the organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3
JOURNAL OF PHYSICAL CHEMISTRY B, 103(26), 5493–5499.
1999 article
Molecular components of the bulk electronic structure of organic conductors: A soft X-ray absorption and soft X-ray emission spectroscopy approach
Stagarescu, C. B., Duda, L. C., Smith, K. E., Seo, D. K., Whangbo, M. H., Jerome, D., … Nordgren, J. (1999, June). JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, Vol. 101, pp. 539–544.
1999 journal article
Polarized optical reflectance and electronic band structure of alpha '-NaV2O5
PHYSICAL REVIEW B, 60(23), 15721–15727.
1999 journal article
Spin-spin interactions in the oxides A(3)M ' MO6 (M = Rh, Ir; A = Ca, Sr; M ' = alkaline earth, Zn, Cd, Na) of the K4CdCl6 structure type examined by electronic structure calculations
INORGANIC CHEMISTRY, 38(9), 2199–2203.
1998 journal article
Characterization of the Fermi surface of the organic superconductor beta ''-(ET)(2)SF5CH2CF2SO3 by measurements of Shubnikov-de Haas and angle-dependent magnetoresistance oscillations and by electronic band-structure calculations
EUROPEAN PHYSICAL JOURNAL B, 1(3), 295–300.
1998 journal article
Characterization of the morphologies and nanostructures of blends of poly(styrene) block-poly(ethene-co-but-1-ene)-block-poly(styrene) with isotactic and atactic polypropylenes by tapping-mode atomic force microscopy
LANGMUIR, 14(5), 1219–1226.
1998 journal article
Comparative study of the structural, electronic, and magnetic properties of the layered ternary vanadium oxides CaV4O9, Cs2V4O9, and [H2N(CH2)(4)NH2]V4O9
CHEMISTRY OF MATERIALS, 10(4), 1059–1064.
1998 journal article
Description of ligand field splitting in terms of density functional theory: Calculations of the split levels of the F-2(5/2) and F-2(7/2) subterms in CeO and CeF under the weak field coupling scheme
JOURNAL OF CHEMICAL PHYSICS, 108(9), 3479–3488.
1998 journal article
Description of ligand field splitting in terms of density functional theory: Split levels of the lowest-lying subterms of the 4f(n-1)6s(2) (n=3-14) configurations in lanthanide monofluorides LnF (Ln=Pr-Yb)
JOURNAL OF CHEMICAL PHYSICS, 108(20), 8479–8484.
1998 personal communication
Description of phase imaging in tapping mode atomic force microscopy by harmonic approximation
Whangbo, M. H., Bar, G., & Brandsch, R. (1998, August 11).
1998 personal communication
Description of the frequency dependence of the amplitude and phase angle of a silicon cantilever tapping on a silicon substrate by the harmonic approximation
Bar, G., Brandsch, R., & Whangbo, M. H. (1998, August 11).
1998 personal communication
Effect of viscoelastic properties of polymers on the phase shift in tapping mode atomic force microscopy
Bar, G., Brandsch, R., & Whangbo, M. H. (1998, December 22).
1998 journal article
Electron counting scheme relevant for late transition metal compounds with weakly electronegative ligands. Electronic band structure study of phosphosilicides PtSi3P2 and NiSi2P3
INORGANIC CHEMISTRY, 38(2), 340–345.
1998 article
Investigation of morphologies and nanostructures of polymer blends by tapping mode phase imaging
Thomann, Y., Cantow, H. J., Bar, G., & Whangbo, M. H. (1998, March). APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, Vol. 66, pp. S1233–S1236.
1998 journal article
On the origin of the anomalous electrical resistivity of LnMo(5)O(8) (Ln = trivalent rare earth)
SOLID STATE COMMUNICATIONS, 108(8), 539–544.
1998 journal article
Pressure-induced changes in the structure and band gap of CsGeX3 (X = Cl, Br) studied by electronic band structure calculations
INORGANIC CHEMISTRY, 37(3), 407–410.
1998 article
Qualitative relationships describing height and phase images of tapping mode atomic force microscopy. An application to micro-contact-printed patterned self-assembled monolayers
Whangbo, M. H., Bar, G., & Brandsch, R. (1998, March). APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, Vol. 66, pp. S1267–S1270.
1998 journal article
Scanning tunneling and atomic force microscopy study of the misfit layer compounds (LaS)(1.14)(NbS2)(n) (n=1,2) and [(Pb,Sb)S)](1.14)NbS2
SURFACE SCIENCE, 400(1-3), 266–276.
1998 journal article
Similarities and differences in the structural and electronic properties of ruthenium and iridium pyrochlores A(2)M(2)O(7-y) (M = Ru, Ir)
JOURNAL OF SOLID STATE CHEMISTRY, 136(2), 269–273.
1998 article
Simulation of long-range contrast modulation in scanning tunneling microscope image of perylene-3,4,9,10-tetracarboxylic-dianhydride monolayer on graphite
Ogawa, T., Irie, S., Isoda, S., Kobayashi, T., & Whangbo, M. H. (1998, June). JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, Vol. 37, pp. 3864–3866.
1998 journal article
Simulation of the scanning tunneling and atomic force microscopy images of a xanthine monolayer on graphite
SURFACE SCIENCE, 401(3), 476–481.
1998 journal article
Single-crystal X-ray diffraction and electronic band structure studies of PdTeI
JOURNAL OF SOLID STATE CHEMISTRY, 137(2), 206–210.
1998 journal article
Synthesis, characterization, and electronic structure analysis of (Et4N)(4)KAuAs4Te8 and electron counting for the zintl anion containing a square-planar AuTe4 unit
INORGANIC CHEMISTRY, 37(23), 6096–6099.
1998 journal article
Unusual physical properties of KCu7-xS4 at diffusive one-dimensional ordering transitions
PHYSICAL REVIEW B, 57(6), 3315–3325.
1997 article
Anisotropic thermopower in the charge density wave quasi two-dimensional compounds (PO2)(4)(WO3)(2m)(m=4, 6)
Hess, C., Schlenker, C., Dumas, J., Greenblatt, M., Canadell, E., & Whangbo, M. H. (1997, February 28). SYNTHETIC METALS, Vol. 86, pp. 2189–2190.
1997 journal article
Direct observation of the electron-donating property of the 5,6-dihydro-1,4-dithiin-2,3-dithiolate (dddt) ligands in square planar M(dddt)(2) complexes (M=Ni, Pd, Pt, and Au)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119(32), 7601–7602.
1997 journal article
Electronic band structure study of colossal magnetoresistance in Tl2Mn2O7
SOLID STATE COMMUNICATIONS, 101(6), 417–421.
1997 journal article
Electronic band structure study of the anomalous electrical and superconducting properties of hexagonal alkali tungsten bronzes A(x)WO(3) (A=K, Rb, Cs)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119(17), 4043–4049.
1997 journal article
Electronic band structure study of the transport properties of the intermetallic compounds ZrRuP and ZrRuSi
INORGANIC CHEMISTRY, 36(26), 6058–6063.
1997 article
Electronic properties of La3Ni2O7 and Ln(4)Ni(3)O(10), Ln=La, Pr and Nd
Greenblatt, M., Zhang, Z., & Whangbo, M. H. (1997, February 15). SYNTHETIC METALS, Vol. 85, pp. 1451–1452.
1997 journal article
Factors affecting the height and phase images in tapping mode atomic force microscopy. Study of phase-separated polymer blends of poly(ethene-co-styrene) and poly(2,6-dimethyl-1,4-phenylene oxide)
LANGMUIR, 13(14), 3807–3812.
1997 journal article
New layered materials in the K-In-Ge-As system: K8In8Ge5As17 and K5In5Ge5As14
JOURNAL OF SOLID STATE CHEMISTRY, 130(2), 234–249.
1997 personal communication
On the factors affecting the contrast of height and phase images in tapping mode atomic force microscopy
Brandsch, R., Bar, G., & Whangbo, M. H. (1997, November 26).
1997 journal article
One-dimensional semiconducting chains of the quaternary zintl anion in (Et4N)(4)[Au(Ag1-xAux)(2)Sn2Te9]
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 36(10), 1087–1090.
1997 journal article
Square planar to rectangular distortion in transition-metal compounds of edge-sharing square planar units MX(4)
JOURNAL OF SOLID STATE CHEMISTRY, 128(2), 181–184.
1997 personal communication
Structural and electronic factors governing the metallic and nonmetallic properties of the pyrochlores A(2)Ru(2)O(7-y)
Lee, K. S., Seo, D. K., & Whangbo, M. H. (1997, July).
1997 journal article
Structural and scanning microscopy studies of layered compounds MCl(3) (M=Mo, Ru, Cr) and MOCl(2) (M=V, Nb, Mo, Ru, Os)
JOURNAL OF ALLOYS AND COMPOUNDS, 246(1-2), 70–79.
1997 journal article
Study of scanning tunneling microscopy images and probable relaxations of the SrTiO3(100) surface by electronic structure calculations
SURFACE SCIENCE, 370(2-3), 245–251.
1997 journal article
Study of the origin of superstructure patterns in the scanning tunneling images of perylene-3,4,9,10-tetracarboxylic-dianhydride on graphite by electronic structure calculations
SURFACE SCIENCE, 370(2-3), 252–258.
1997 journal article
Symmetric stretching vibrations of two-coordinate oxygen bridges as a cause for negative thermal expansion in zrv(x)p(2)-(x)o(7) and aw(2)o(8) (a=zr, hf) at high temperature
Journal of Solid State Chemistry, 129(1), 160–163.
1997 journal article
Tapping-mode atomic force microscopy study of the near-surface composition of a styrene-butadiene-styrene triblock copolymer film
SURFACE SCIENCE, 389(1-3), 201–211.
1997 journal article
Vacancy ordering as the cause for the electrical resistivity anomalies and superlattice modulations in ACu(7-x)S(4) (A = Tl, K, Rb)
JOURNAL OF SOLID STATE CHEMISTRY, 134(1), 5–9.
1991 review
CONCEPTUAL ASPECTS OF STRUCTURE PROPERTY CORRELATIONS AND ELECTRONIC INSTABILITIES, WITH APPLICATIONS TO LOW-DIMENSIONAL TRANSITION-METAL OXIDES
[Review of ]. CHEMICAL REVIEWS, 91(5), 965–1034.
1991 review
ORGANIC SUPERCONDUCTORS - NEW BENCHMARKS
[Review of ]. SCIENCE, 252(5012), 1501–1508.
1990 article
A NEW AMBIENT-PRESSURE ORGANIC SUPERCONDUCTOR, KAPPA-(ET)2CU[N(CN)2]BR, WITH THE HIGHEST TRANSITION-TEMPERATURE YET OBSERVED (INDUCTIVE ONSET TC = 11.6 K, RESISTIVE ONSET = 12.5 K)
KINI, A. M., GEISER, U., WANG, H. H., CARLSON, K. D., WILLIAMS, J. M., KWOK, W. K., … WHANGBO, M. H. (1990, July 11). INORGANIC CHEMISTRY, Vol. 29, pp. 2555–2557.
1990 article
FROM SEMICONDUCTOR SEMICONDUCTOR TRANSITION (42K) TO THE HIGHEST-12.5 K ORGANIC SUPERCONDUCTOR, KAPPA-(ET)2CU[N(CN)2]CL
WILLIAMS, J. M., KINI, A. M., WANG, H. H., CARLSON, K. D., GEISER, U., MONTGOMERY, L. K., … WHANGBO, M. H. (1990, September 5). INORGANIC CHEMISTRY, Vol. 29, pp. 3272–3274.
1987 review
RATIONAL DESIGN OF SYNTHETIC METAL SUPERCONDUCTORS
[Review of ]. PROGRESS IN INORGANIC CHEMISTRY, 35, 51–218.
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