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

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Reference Type	Journal (article/letter/editorial)
Title	Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces
Journal	Ceramics International
Authors	Eglitis, R.I.		Author
	Piskunov, S.		Author
	Heifets, E.		Author
	Kotomin, E.A.		Author
	Borstel, G.		Author
Year	2004 (January)	Volume	30
Publisher	Elsevier BV
DOI	doi:10.1016/j.ceramint.2003.12.176Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	4199673	Long-form Identifier	mindat:1:5:4199673:1
GUID	0
Full Reference	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
Plain Text	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
In	(2004) Ceramics International Vol. 30. Elsevier BV

	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
	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
	Heifets, E., Eglitis, R.I., Kotomin, E.A., Maier, J., Borstel, G. (2002) First-principles calculations for SrTiO3() surface structure. Surface Science, 513 (1). 211-220 doi:10.1016/s0039-6028(02)01730-2
	*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*
	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., Kotomin, E.A. (2010) Ab initio calculations of Nb doped SrTiO3. Physica B: Condensed Matter, 405 (15). 3164-3166 doi:10.1016/j.physb.2010.04.033*
	*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*
	*Heifets, E., Goddard, W. A., Kotomin, E. A., Eglitis, R. I., Borstel, G. (2004) Ab initiocalculations of theSrTiO3(110) polar surface. Physical Review B, 69 (3) doi:10.1103/physrevb.69.035408*
	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
	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., Piskunov, S., Zhukovskii, Yu. F. (2016) Ab initio calculations of PbTiO3 /SrTiO3 (001) heterostructures. physica status solidi (c), 13 (10). 913-920 doi:10.1002/pssc.201600074*

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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

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