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Whangbo, M.-H., Koo, H.-J., Dai, D., Villesuzanne, A. (2002) 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. 345-358 doi:10.1006/jssc.2002.9550

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Reference TypeJournal (article/letter/editorial)
TitleAnalysis 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
JournalJournal of Solid State Chemistry
AuthorsWhangbo, M.-H.Author
Koo, H.-J.Author
Dai, D.Author
Villesuzanne, A.Author
Year2002 (May)Volume165
PublisherElsevier BV
DOIdoi:10.1006/jssc.2002.9550Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID585611Long-form Identifiermindat:1:5:585611:8
GUID0
Full ReferenceWhangbo, M.-H., Koo, H.-J., Dai, D., Villesuzanne, A. (2002) 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. 345-358 doi:10.1006/jssc.2002.9550
Plain TextWhangbo, M.-H., Koo, H.-J., Dai, D., Villesuzanne, A. (2002) 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. 345-358 doi:10.1006/jssc.2002.9550
In(2002, May) Journal of Solid State Chemistry Vol. 165 (2) Elsevier BV

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Dai, D, Koo, H.-J, Whangbo, M.-H (2003) 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. 341-347 doi:10.1016/s0022-4596(03)00307-4
Whangbo, M.-H., Koo, H.-J., Dai, D., Villesuzanne, A. (2003) A discussion on the apparently puzzling structural, electrical and magnetic properties of BaVS3. Journal of Solid State Chemistry, 175. 384-388 doi:10.1016/s0022-4596(03)00346-3
Koo, H.-J., Whangbo, M.-H. (2000) Analysis of the Spin Exchange Interactions in the Extended Magnetic Solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3. Journal of Solid State Chemistry, 151. 96-101 doi:10.1006/jssc.2000.8627
Koo, H.-J., Whangbo, M.-H. (2001) Examination of the Anisotropic Spin Exchange Interactions of CuM2O6 (M=Sb, V, Nb) by Spin Dimer Analysis. Journal of Solid State Chemistry, 156. 110-116 doi:10.1006/jssc.2000.8969
Koo, H.-J., Whangbo, M.-H. (2000) Spin Dimer Analysis of the Spin Exchange Interactions of the Vanadium Oxides AV4O9 (A=Ca, Sr, Cs2, NH2(CH2)4NH2) Journal of Solid State Chemistry, 153. 263-269 doi:10.1006/jssc.2000.8753
Whangbo, M.-H., Koo, H.-J. (2002) 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 doi:10.1016/s1293-2558(01)01261-4
Lee, K.-S, Koo, H.-J, Ren, J, Whangbo, M.-H (1999) Calculations and Analysis of the Electronic Structures of Transition-Metal Phosphosilicides Cu4SiP8, IrSi3P3, CoSi3P3, and FeSi4P4. Journal of Solid State Chemistry, 147. 11-18 doi:10.1006/jssc.1999.8142
Rozier, P., Galy, J., Chelkowska, G., Koo, H.-J., Whangbo, M.-H. (2002) Electrical Resistivity, Magnetic Susceptibility, X-Ray Photoelectron Spectroscopy, and Electronic Band Structure Studies of Cu2.33−xV4O11. Journal of Solid State Chemistry, 166. 382-388 doi:10.1006/jssc.2002.9609
Dai, D., Whangbo, M.-H., Koo, H.-J., Rocquefelte, X., Jobic, S., Villesuzanne, A. (2005) 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 doi:10.1021/ic048431w
Villesuzanne, A., Whangbo, M.-H., Koo, H.-J. (2005) Unpaired Spin Populations and Spin-Pairing Tendencies of the Nonequivalent Vanadium Sites of the Magnetic Metal NaV6O11Investigated by Electronic Band Structure Calculations and Spin Dimer Analysis. Chemistry of Materials, 17. 4344-4349 doi:10.1021/cm050666y
Whangbo, M.-H., Dai, D., Koo, H.-J. (2005) 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 doi:10.1016/j.solidstatesciences.2005.02.009
 
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