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
958 2004 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
224 2005 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
202 2006 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
136 2015 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
120 2007 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
107 2003 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
105 2008 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
71 2009 Ab initio thermodynamics of solid solutionsD Fuks, S Dorfman, S Piskunov, EA Kotomin
Physical Review B 71 (1), 014111, 2005
71 2005 Fast-Response Single-Nanowire Photodetector Based on ZnO/WS2 Core/Shell Heterostructures E Butanovs, S Vlassov, A Kuzmin, S Piskunov, J Butikova, B Polyakov
ACS applied materials & interfaces 10 (16), 13869-13876, 2018
69 2018 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
69 2004 Symmetry and models of single-walled TiO2 nanotubes with rectangular morphology R Evarestov, Y Zhukovskii, A Bandura, S Piskunov
Open Physics 9 (2), 492-501, 2011
67 2011 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
63 2010 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
62 2010 Ab initio calculations of the BaTiO3 (100) and (110) surfacesRI Eglitis, G Borstel, E Heifets, S Piskunov, E Kotomin
Journal of electroceramics 16, 289-292, 2006
54 2006 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
46 2007 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
44 2011 First principles hybrid DFT calculations of BaTiO3/SrTiO3 (001) interface S Piskunov, RI Eglitis
Solid State Ionics 274, 29-33, 2015
42 2015 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
39 2009 Oxygen adsorption at (001) surfaces: Predictions from first principles S Piskunov, T Jacob, E Spohr
Physical Review B 83 (7), 073402, 2011
36 2011