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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

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Reference TypeJournal (article/letter/editorial)
TitleComputer modelling of point defects in ABO3 perovskites and MgO
JournalComputational Materials Science
AuthorsEglitis, R.IAuthor
Kotomin, E.AAuthor
Borstel, GAuthor
Year2004 (August)Volume30
Issue3
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2004.02.030Search in ResearchGate
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Mindat Ref. ID9503928Long-form Identifiermindat:1:5:9503928:8
GUID0
Full ReferenceEglitis, 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
Plain TextEglitis, 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
In(2004, August) Computational Materials Science Vol. 30 (3) Elsevier BV

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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. (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
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., 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
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
Kotomin, E.A., Maier, J., Eglitis, R.I., Borstel, G. (2002) Calculations of radiation-induced point defects, polarons and excitons in ferroelectric perovskites. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 191 (1). 22-26 doi:10.1016/s0168-583x(02)00507-4
Piskunov, S., Kotomin, E.A., Heifets, E., Maier, J., Eglitis, R.I., Borstel, G. (2005) Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces. Surface Science, 575 (1). 75-88 doi:10.1016/j.susc.2004.11.008
Eglitis, R.I., Piskunov, S., Heifets, E., Kotomin, E.A., Borstel, G. (2004) Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces. Ceramics International, 30. 1989-1992 doi:10.1016/j.ceramint.2003.12.176
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
Piskunov, S, Heifets, E, Eglitis, R.I, Borstel, G (2004) Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study. Computational Materials Science, 29 (2). 165-178 doi:10.1016/j.commatsci.2003.08.036
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
 
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