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Kotomin, E.A., Eglitis, R.I., Borstel, G. (2000) Quantum chemical modelling of point defects in KNbO3 perovskite crystals. Computational Materials Science, 17 (2). 290-298 doi:10.1016/s0927-0256(00)00040-9

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Reference TypeJournal (article/letter/editorial)
TitleQuantum chemical modelling of point defects in KNbO3 perovskite crystals
JournalComputational Materials Science
AuthorsKotomin, E.A.Author
Eglitis, R.I.Author
Borstel, G.Author
Year2000 (June)Volume17
Issue2
PublisherElsevier BV
DOIdoi:10.1016/s0927-0256(00)00040-9Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID9503167Long-form Identifiermindat:1:5:9503167:5
GUID0
Full ReferenceKotomin, E.A., Eglitis, R.I., Borstel, G. (2000) Quantum chemical modelling of point defects in KNbO3 perovskite crystals. Computational Materials Science, 17 (2). 290-298 doi:10.1016/s0927-0256(00)00040-9
Plain TextKotomin, E.A., Eglitis, R.I., Borstel, G. (2000) Quantum chemical modelling of point defects in KNbO3 perovskite crystals. Computational Materials Science, 17 (2). 290-298 doi:10.1016/s0927-0256(00)00040-9
In(2000, June) Computational Materials Science Vol. 17 (2) Elsevier BV

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Eglitis, R.I., Kotomin, E.A., Borstel, G. (2001) Quantum chemical modelling of polarons and perovskite solid solutions. Computational Materials Science, 21 (4). 530-534 doi:10.1016/s0927-0256(01)00202-6
Eglitis, R.I, Kotomin, E.A, Borstel, G (2004) Computer modelling of point defects in ABO3 perovskites and MgO. Computational Materials Science, 30 (3). 376-382 doi:10.1016/j.commatsci.2004.02.030
Eglitis, R.I., Kotomin, E.A., Borstel, G., Kapphan, S.E., Vikhnin, V.S. (2003) Semi-empirical calculations of the electronic and atomic structure of polarons and excitons in ABO 3 perovskite crystals. Computational Materials Science, 27 (1). 81-86 doi:10.1016/s0927-0256(02)00429-9
Kotomin, E.A., Christensen, N.E., Eglitis, R.I., Borstel, G. (1998) A comparative study of the atomic and electronic structure of F centers in ferroelectric KNbO3: Ab initio and semi-empirical calculations. Computational Materials Science, 10 (1). 339-345 doi:10.1016/s0927-0256(97)00134-1
Eglitis, R.I., Eglitis, R.I., Kotomin, E.A., Kotomin, E.A., Borstel, G. (1998) Semi-Empirical Calculations of Hole Polarons in MgO and KNbO3 Crystals. physica status solidi (b), 208 (1). 15-20 doi:10.1002/(sici)1521-3951(199807)208:1<15::aid-pssb15>3.0.co;2-5
Eglitis, R.I., Kotomin, E.A., Borstel, G. (2005) Large scale computer modelling of point defects in ABO3 perovskites. physica status solidi (c), 2 (1). 113-119 doi:10.1002/pssc.200460124
Kotomin, E.A., Eglitis, R.I., Borstel, G., Grigorjeva, L., Millers, D., Pankratov, V. (2000) Theoretical and experimental study of primary radiation defects in KNbO3 perovskite crystals. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 166. 299-304 doi:10.1016/s0168-583x(99)00668-0
Borstel, G., Kotomin, E.A., Eglitis, R.I., Heifets, E. (2000) Computer Modeling of Point Defects, Impurity Self-Ordering Effects and Surfaces in Advanced Perovskite Ferroelectrics. Acta Physica Polonica A, 98 (5). 469-481 doi:10.12693/aphyspola.98.469
Eglitis, R.I, Izvekov, S.V, Philpott, M.R (2000) Metal dissolution in aqueous electrolyte. Computational Materials Science, 17 (2). 275-278 doi:10.1016/s0927-0256(00)00038-0
Borstel, G., Eglitis, R.I., Kotomin, E.A., Heifets, E. (2002) Modeling of defects and surfaces in perovskite ferroelectrics. Journal of Crystal Growth, 237. 687-693 doi:10.1016/s0022-0248(01)01994-7
Puska, M.J. (2000) Point defects in silicon, first-principles calculations. Computational Materials Science, 17 (2). 365-373 doi:10.1016/s0927-0256(00)00054-9
 
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