Sergei Piskunov
Sergei Piskunov
Institute of Solid State Physics of University of Latvia
Verified email at lu.lv - Homepage
TitleCited byYear
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
6292004
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
1722005
Single impurities in insulators: Ab initio study of Fe-doped
RA Evarestov, S Piskunov, EA Kotomin, G Borstel
Physical Review B 67 (6), 064101, 2003
902003
Electronic structure and thermodynamic stability of double-layered surfaces: Ab initio simulations
E Heifets, S Piskunov, EA Kotomin, YF Zhukovskii, DE Ellis
Physical Review B 75 (11), 115417, 2007
822007
Electronic structure and thermodynamic stability of and (001) surfaces: Ab initio calculations
S Piskunov, E Heifets, T Jacob, EA Kotomin, DE Ellis, E Spohr
Physical Review B 78 (12), 121406, 2008
782008
C-, N-, S-, and Fe-Doped TiO2 and SrTiO3 Nanotubes for Visible-Light-Driven Photocatalytic Water Splitting: Prediction from First Principles
S Piskunov, O Lisovski, J Begens, D Bocharov, YF Zhukovskii, M Wessel, ...
The Journal of Physical Chemistry C 119 (32), 18686-18696, 2015
622015
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
582004
Ab initio thermodynamics of solid solutions
D Fuks, S Dorfman, S Piskunov, EA Kotomin
Physical Review B 71 (1), 014111, 2005
572005
Symmetry and Models of Single-Wall BN and TiO2 Nanotubes with Hexagonal Morphology
RA Evarestov, YF Zhukovskii, AV Bandura, S Piskunov
The Journal of Physical Chemistry C 114 (49), 21061-21069, 2010
562010
Titania nanotubes modeled from 3-and 6-layered (1 0 1) anatase sheets: Line group symmetry and comparative ab initio LCAO calculations
RA Evarestov, AV Bandura, MV Losev, S Piskunov, YF Zhukovskii
Physica E: Low-dimensional Systems and Nanostructures 43 (1), 266-278, 2010
552010
Symmetry and models of single-walled TiO2 nanotubes with rectangular morphology
RA Evarestov, YF Zhukovskii, AV Bandura, S Piskunov
Central European Journal of Physics 9 (2), 492-501, 2011
482011
A comparative ab initio study of bulk and surface oxygen vacancies in PbTiO3, PbZrO3 and SrTiO3 perovskites
YF Zhukovskii, EA Kotomin, S Piskunov, DE Ellis
Solid State Communications 149 (33-34), 1359-1362, 2009
472009
Ab initio calculations of the BaTiO3 (100) and (110) surfaces
RI Eglitis, G Borstel, E Heifets, S Piskunov, E Kotomin
Journal of electroceramics 16 (4), 289-292, 2006
442006
First-principles calculations of the atomic and electronic structure of centers in the bulk and on the (001) surface of
J Carrasco, F Illas, N Lopez, EA Kotomin, YF Zhukovskii, RA Evarestov, ...
Physical Review B 73 (6), 064106, 2006
382006
Symmetry and Models of Double-Wall BN and TiO2 Nanotubes with Hexagonal Morphology
RA Evarestov, YF Zhukovskii, AV Bandura, S Piskunov, MV Losev
The Journal of Physical Chemistry C 115 (29), 14067-14076, 2011
342011
Oxygen adsorption at (001) surfaces: Predictions from first principles
S Piskunov, T Jacob, E Spohr
Physical Review B 83 (7), 073402, 2011
332011
Atomic and electronic structure of perfect and defective PbZrO3 perovskite: Hybrid DFT calculations of cubic and orthorhombic phases
S Piskunov, A Gopeyenko, EA Kotomin, YF Zhukovskii, DE Ellis
Computational Materials Science 41 (2), 195-201, 2007
322007
Ab initio simulations on the atomic and electronic structure of single-walled BN nanotubes and nanoarches
YF Zhukovskii, S Piskunov, N Pugno, B Berzina, L Trinkler, S Bellucci
Journal of Physics and Chemistry of Solids 70 (5), 796-803, 2009
312009
Study of the electronic and atomic structure of thermally treated SrTiO3(110) surfaces
A Gunhold, L Beuermann, K Gömann, G Borchardt, V Kempter, ...
Surface and Interface Analysis: An International Journal devoted to the …, 2003
282003
Electronic and magnetic structure of calculated by means of hybrid density-functional theory
S Piskunov, E Spohr, T Jacob, EA Kotomin, DE Ellis
Physical Review B 76 (1), 012410, 2007
262007
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Articles 1–20