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Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions

The journal of physical chemistry letters, 2015-07, Vol.6 (14), p.2847-2851

2015

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Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

Surface science, 2009-01, Vol.603 (2), p.326-335

2009

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Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study

Computational materials science, 2004-02, Vol.29 (2), p.165-178

2004

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Methodological Aspects of Determining the Estimated (Marginal) Cost of Objects in the Implementation of Projects based on the IPA

Finansy: teoriâ i praktika (Online), 2023-12, Vol.27 (6), p.101-112

2023

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Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study

Journal of physics. Condensed matter, 2006-05, Vol.18 (20), p.4845-4851

2006

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Helium behavior in oxide nuclear fuels: First principles modeling

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2010-10, Vol.268 (19), p.3090-3094

2010

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Ab initio calculations of the BaTiO3 (100) and (110) surfaces

Journal of electroceramics, 2006-07, Vol.16 (4), p.289-292

2006

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First-principles calculations for SrTiO3(100) surface structure

Surface science, 2002-07, Vol.513 (1), p.211-220

2002

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Semi-empirical simulations of surface relaxation for perovskite titanates

Surface science, 2000-08, Vol.462 (1), p.19-35

2000

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Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces

Ceramics international, 2004, Vol.30 (7), p.1989-1992

2004

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The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(001) surfaces : Ab initio DFT/HF hybrid calculations

Microelectronic engineering, 2005-08, Vol.81 (2-4), p.472-477

2005

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Comparative study of polar perovskite surfaces

Surface science, 2004-09, Vol.566, p.231-235

2004

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Atomistic modeling of polar LaMnO3 surfaces

Sensors and actuators. B, Chemical, 2004-06, Vol.100 (1-2), p.81-87

2004

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Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films

Thin solid films, 2001-12, Vol.400 (1-2), p.76-80

2001

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Ab Initio Study of BiFeO 3 : Thermodynamic Stability Conditions

The journal of physical chemistry letters, 2015-07, Vol.6 (14), p.2847-2851

2015

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Ab initio Hartree-Fock calculations of LaMnO3 (110) surfaces

Solid state communications, 2003-07, Vol.127 (5), p.367-371

2003

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Modelling of defects and surfaces in perovskite ferroelectrics

Phys. Status Solidi (b). Vol. 236, no. 2, pp. 253-264. 2003, 2003-03, Vol.236 (2), p.253-264

2003

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Hybrid DFT calculations of the atomic and electronic structure for ABO 3 perovskite (0 0 1) surfaces

Surface science, 2005-01, Vol.575 (1), p.75-88

2005

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Atomistic simulations of the LaMnO3 (110) polar surface

Physical chemistry chemical physics : PCCP, 2003-10, Vol.5 (19), p.4180-4184

2003

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The adhesion nature of the Ag/MgO(100) interface: an ab initio study

Chemical physics letters, 1998-02, Vol.283 (5), p.395-401

1998

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Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces

Surface science, 2005-01, Vol.575 (1-2), p.75-88

2005

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Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations

Thin solid films, 2000-01, Vol.358 (1-2), p.1-5

2000

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Structural Phase Transition and Photo-Charge Carrier Transport in SrTiO3

Ferroelectrics, 2006-08, Vol.337 (1), p.179-188

2006

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Modeling of defects and surfaces in perovskite ferroelectrics

Journal of crystal growth, 2002-04, Vol.237, p.687-693

2002

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Hartree - Fock simulation of the Ag/MgO interface structure

Journal of physics. Condensed matter, 1996-09, Vol.8 (36), p.6577-6584

1996

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Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions

Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study

Methodological Aspects of Determining the Estimated (Marginal) Cost of Objects in the Implementation of Projects based on the IPA

Calculations for antiferrodistortive phase of SrTiO3 perovskite: hybrid density functional study

Helium behavior in oxide nuclear fuels: First principles modeling

Ab initio calculations of the BaTiO3 (100) and (110) surfaces

First-principles calculations for SrTiO3(100) surface structure

Semi-empirical simulations of surface relaxation for perovskite titanates

Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (001) surfaces

The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(001) surfaces : Ab initio DFT/HF hybrid calculations

Comparative study of polar perovskite surfaces

Atomistic modeling of polar LaMnO3 surfaces

Calculations of the atomic and electronic structure for SrTiO3 perovskite thin films

Ab Initio Study of BiFeO 3 : Thermodynamic Stability Conditions

Ab initio Hartree-Fock calculations of LaMnO3 (110) surfaces

Modelling of defects and surfaces in perovskite ferroelectrics

Hybrid DFT calculations of the atomic and electronic structure for ABO 3 perovskite (0 0 1) surfaces

Atomistic simulations of the LaMnO3 (110) polar surface

The adhesion nature of the Ag/MgO(100) interface: an ab initio study

Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (001) surfaces

Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations

Structural Phase Transition and Photo-Charge Carrier Transport in SrTiO3

Modeling of defects and surfaces in perovskite ferroelectrics

Hartree - Fock simulation of the Ag/MgO interface structure

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