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Roberts Eglitis
Roberts Eglitis
University of Latvia, Leading Researcher
Dirección de correo verificada de cfi.lu.lv
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Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study
S Piskunov, E Heifets, RI Eglitis, G Borstel
Computational Materials Science 29 (2), 165-178, 2004
9582004
Ab initio modeling of surface structure for perovskite crystals
E Heifets, RI Eglitis, EA Kotomin, J Maier, G Borstel
Physical Review B 64 (23), 235417, 2001
3272001
Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (0 0 1) surfaces
S Piskunov, EA Kotomin, E Heifets, J Maier, RI Eglitis, G Borstel
Surface Science 575 (1-2), 75-88, 2005
2242005
Ab initio calculations of and (001) and (011) surface structures
RI Eglitis, D Vanderbilt
Physical Review B 76 (15), 155439, 2007
1812007
First-principles calculations of atomic and electronic structure of (001) and (011) surfaces
RI Eglitis, D Vanderbilt
Physical Review B 77 (19), 195408, 2008
1642008
First-principles calculations for SrTiO3 (100) surface structure
E Heifets, RI Eglitis, EA Kotomin, J Maier, G Borstel
Surface science 513 (1), 211-220, 2002
1532002
Systematic trends in (0 0 1) surface ab initio calculations of ABO3 perovskites
RI Eglitis, AI Popov
Journal of Saudi Chemical Society 22 (4), 459-468, 2018
1512018
Ab initio calculations of SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, PbZrO3 and BaZrO3 (001), (011) and (111) surfaces as well as F centers, polarons, KTN …
RI Eglitis
International journal of modern physics B 28 (17), 1430009, 2014
1162014
Ab initio calculations of the electronic structure and centers
H Shi, RI Eglitis, G Borstel
Physical review B 72 (4), 045109, 2005
1082005
Ab initio calculations of the (110) polar surface
E Heifets, WA Goddard III, EA Kotomin, RI Eglitis, G Borstel
Physical Review B 69 (3), 035408, 2004
1072004
First-principles and semiempirical calculations for centers in
RI Eglitis, NE Christensen, EA Kotomin, AV Postnikov, G Borstel
Physical Review B 56 (14), 8599, 1997
1001997
Ab initio hybrid DFT calculations of BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces
RI Eglitis
Applied Surface Science 358, 556-562, 2015
922015
Semiempirical Hartree-Fock calculations for
RI Eglitis, AV Postnikov, G Borstel
Physical Review B 54 (4), 2421, 1996
891996
Polaronic-type excitons in ferroelectric oxides: Microscopic calculations and experimental manifestation
VS Vikhnin, RI Eglitis, SE Kapphan, G Borstel, EA Kotomin
Physical Review B 65 (10), 104304, 2002
862002
Ab initio calculations of the atomic and electronic structure of (001) and (011) surfaces
RI Eglitis, D Vanderbilt
Physical Review B 78 (15), 155420, 2008
822008
Semiempirical Hartree-Fock calculations for pure and Li-doped
RI Eglitis, AV Postnikov, G Borstel
Physical Review B 55 (19), 12976, 1997
771997
First-principles calculations of the atomic and electronic structure of SrZrO3 and PbZrO3 (001) and (011) surfaces
RI Eglitis, M Rohlfing
Journal of Physics: Condensed Matter 22 (41), 415901, 2010
692010
Ab initio study of the SrTiO3, BaTiO3 and PbTiO3 (0 0 1) surfaces
RI Eglitis, S Piskunov, E Heifets, EA Kotomin, G Borstel
Ceramics international 30 (7), 1989-1992, 2004
692004
Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates
EM Fernandez, RI Eglitis, G Borstel, LC Balbas
Computational materials science 39 (3), 587-592, 2007
652007
First-principles and semiempirical calculations for bound-hole polarons in
EA Kotomin, RI Eglitis, AV Postnikov, G Borstel, NE Christensen
Physical Review B 60 (1), 1, 1999
651999
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