List the most cited papers (> 43 times) ( ResearcherId, by March, 2015)

1. S. Piskunov, E. Heifets, R.I. Eglitis, and G. Borstel.
Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study.
Computational Materials Science, Volume: 29, Issue: 2, Pages: 165-178, Published: FEB 2004
DOI: 10.1016/j.commatsci.2003.08.036
Times Cited: 260
2. V.N. Kuzovkov, and E.A. Kotomin.
Kinetics of bimolecular reactions in condensed media - critical phenomena and microscopic self-organisation.
Reports on Progress in Physics, Volume: 51, Issue: 12, Pages: 1479-1523, Published: DEC 1988
DOI: 10.1088/0034-4885/51/12/001
Times Cited: 236
3. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel.
Ab initio modeling of surface structure for SrTiO3 perovskite.
Physical Review B, Volume: 64, Issue: 23, Published: DEC 15 2001
DOI: 10.1103/PhysRevB.64.235417
Times Cited: 157
4. E.A. Kotomin, and A.I Popov.
Radiation-induced point defects in simple oxides.
Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions With Materials and Atoms, Volume: 141, Issue: 1-4, Pages: 1-15, Published: MAY 1998
DOI: 10.1016/S0168-583X(98)00079-2
Times Cited: 139
5. S. Piskunov, E.A. Kotomin, E. Heifets, J. Maier, R.I. Eglitis, and G. Borstel.
Hybrid DFT calculations of the atomic and electronic structure for ABO(3) perovskite (001) surfaces.
Surface Science, Volume: 575, Issue: 1-2, Pages: 75-88, Published: JAN 20 2005
DOI: 10.1016/j.susc.2004.11.008
Times Cited: 104
6. A. Stashans, E.A. Kotomin, and J.-L. Calais.
Calculations of the ground and excited-states of F-tyep centers in corundum crystals
Physical Review B, Volume: 49, Issue: 21, Pages: 14854-14858, Published: JUN 1 1994
DOI: 10.1103/PhysRevB.49.14854
Times Cited: 99
7. V.E. Puchin, J.D. Gale, A.L. Shluger, E.A. Kotomin, J. Günster, M. Brause, and V. Kempter.
Atomic and electronic structure of the corundum(0001) surface: Comparison with surface spectroscopies.
Surface Science, Volume: 370, Issue: 2-3, Pages: 190-200, Published: JAN 10 1997
DOI: 10.1016/S0039-6028(96)00971-5
Times Cited: 91
8. E. Heifets, E.A. Kotomin, and J. Maier.
Semi-empirical simulations of surface relaxation for perovskite titanates.
Surface Science, Volume: 462, Issue: 1-3, Pages: 19-35, Published: AUG 10 2000
DOI: 10.1016/S0039-6028(00)00603-8
Times Cited: 86
9. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel.
First-principles calculations for SrTiO3(100) surface structure.
Surface Science, Volume: 513, Issue: 1, Pages: 211-220, Published: JUL 10 2002
DOI: 10.1016/S0039-6028(02)01730-2
Times Cited: 81
10. B. Kaestner, V. Kashcheyevs, S. Amakawa, M.D. Blumenthal, L. Li, T.J.B.M. Janssen, G. Hein, K. Pierz, T. Weimann, U. Siegner, and H.W. Schumacher.
Single-parameter nonadiabatic quantized charge pumping
Physical Review B, Volume: 77, Issue: 15, Published: APR 2008
DOI: 10.1103/PhysRevB.77.153301
Times Cited: 79
11. Yu.F. Zhukovskii, E.A. Kotomin, P.W.M. Jacobs, and A. M. Stoneham.
Ab initio modeling of metal adhesion on oxide surfaces with defects.
Physical Review Letters, Volume: 84, Issue: 6, Pages: 1256-1259, Published: FEB 7 2000
DOI: 10.1103/PhysRevLett.84.1256
Times Cited: 75
12. J. Carrasco, F. Illas, N. Lopez, E.A. Kotomin, Yu.F. Zhukovskii, R. A. Evarestov, Yu.A. Mastrikov, S. Piskunov, and J. Maier.
First-principles calculations of the atomic and electronic structure of F centers in the bulk and on the (001) surface of SrTiO3.
Source: Physical Review B Volume: 73 Issue: 6 Published: FEB 2006
DOI: 10.1103/PhysRevB.73.064106
Times Cited: 74
13. R.I. Eglitis, A.V. Postnikov, and G. Borstel.
Semiempirical Hartree-Fock calculations for KNbO3.
Physical Review B, Volume: 54, Issue: 4, Pages: 2421-2427, Published: JUL 15 1996
DOI: 10.1103/PhysRevB.54.2421
Times Cited: 72
14. R.I. Eglitis, N. E. Christensen, E.A. Kotomin, A.V. Postnikov, and G. Borstel.
First-principles and semiempirical calculations for F centers in KNbO3.
Physical Review B, Volume: 56, Issue: 14, Pages: 8599-8604, Published: OCT 1 1997
DOI: 10.1103/PhysRevB.56.8599
Times Cited: 70
15. P. Balaya, A.J. Bhattacharyya, J. Jamnik, Yu.F. Zhukovskii, E.A. Kotomin, and J. Maier.
Nano-ionics in the context of lithium batteries
Journal of Power Sources, Volume: 159, Issue: 1, Pages: 171-178, Published: SEP 13 2006
DOI: 10.1016/j.jpowsour.2006.04.115
Times Cited: 68
16. H. Schnörer, V.N. Kuzovkov, and A. Blumen.
Segregation in annihilation reactions without diffusion: Analysis of correlations.
Physical Review Letters, Volume: 63, Issue: 7, Pages: 805-808, Published: AUG 14 1989
DOI: 10.1103/PhysRevLett.63.805
Times Cited: 67
17. Yu.F. Zhukovskii, P. Balaya, E.A. Kotomin, and J. Maier.
Evidence for interfacial-storage anomaly in nanocomposites for lithium batteries from first-principles simulations.
Physical Review Letters, Volume: 96, Issue: 5, Published: FEB 10 2006
DOI: 10.1103/PhysRevLett.96.058302
Times Cited: 66
18. R.I. Eglitis, A.V. Postnikov, and G. Borstel.
Semiempirical Hartree-Fock calculations for pure and Li-doped KTaO3.
Physical Review B, Volume: 55 Issue: 19 Pages: 12976-12981 Published: MAY 15 1997
DOI: 10.1103/PhysRevB.55.12976
Times Cited: 66
19. A.L. Shluger, E.A. Kotomin, and L.N. Kantorovich.
Quantum-chemical simulation of impurity-induced trapping of a hole: (Li)0 centre in MgO.
Journal of Physics C-Solid State Physics, Volume: 19, Issue: 22, Pages: 4183-4199, Published: AUG 10 1986
DOI: 10.1088/0022-3719/19/22/007
Times Cited: 63
20. Yu.A. Mastrikov, R. Merkle, E. Heifets, E.A. Kotomin, and J. Maier.
Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO(3-delta).
Journal of Physical Chemistry C, Volume: 114, Issue: 7, Pages: 3017-3027, Published: FEB 25 2010
DOI: 10.1021/jp909401g
Times Cited: 62
21. E.A. Kotomin, A. Stashans, L.N. Kantorovich, A.I. Lifshitz, A.I. Popov, I.A. Tale, and J.-L. Calais.
Calculations of the geometry and optical properties of FMg centers and dimer (F2-type) centers in corundum crystals.
Physical Review B, Volume: 51, Issue: 14, Pages: 8770-8778, Published: APR 1 1995
DOI: 10.1103/PhysRevB.51.8770
Times Cited: 61
22. V.S. Vikhnin, R.I. Eglitis, S.E. Kapphan, G. Borstel, and E.A. Kotomin.
Polaronic-type excitons in ferroelectric oxides: Microscopic calculations and experimental manifestation.
Physical Review B, Volume: 65, Issue: 10, Published: MAR 1 2002
DOI: 10.1103/PhysRevB.65.104304
Times Cited: 60
23. E.A. Kotomin, and V.N. Kuzovkov.
Phenomenological kinetics of Frenkel defect recombination and accumulation in ionic solids.
Reports on Progress in Physics, Volume: 55, Issue: 12, Pages: 2079-2188, Published: DEC 1992
DOI: 10.1088/0034-4885/55/12/001
Times Cited: 60
24. R.I. Eglitis, and D. Vanderbilt.
First-principles calculations of atomic and electronic structure of SrTiO(3) (001) and (011) surfaces.
Physical Review B, Volume: 77, Issue: 19, Published: MAY 2008
DOI: 10.1103/PhysRevB.77.195408
Times Cited: 57
25. E.A. Kotomin, Yu.A. Mastrikov, E. Heifets, and J. Maier.
Adsorption of atomic and molecular oxygen on the LaMnO3(001) surface: ab initio supercell calculations and thermodynamics.
Physical Chemistry Chemical Physics, Volume: 10, Issue: 31, Pages: 4644-4649, Published: 2008
DOI: 10.1039/b804378g
Times Cited: 56
26. R.A. Evarestov, S. Piskunov, E.A. Kotomin, and G. Borstel.
Single impurities in insulators: Ab initio study of Fe-doped SrTiO3.
Physical Review B, Volume: 67, Issue: 6, Published: FEB 1 2003
DOI: 10.1103/PhysRevB.67.064101
Times Cited: 53
27. P.W.M Jacobs, E.A. Kotomin, A. Stashans, E.V. Stefanovich, and I. Tale.
Quantum chemical simulations of hole self-trapping in corundum.
Journal of Physics-Condensed Matter, Volume: 4, Issue: 37, Pages: 7531-7544, Published: SEP 14 1992
DOI: 10.1088/0953-8984/4/37/001
Times Cited: 51
28. E. Heifets, Yu.F. Zhukovskii, E.A Kotomin, and M. Causa.
The adhesion nature of the Ag/MgO(100) interface: an ab initio study.
Chemical Physics Letters, Volume: 283, Issue: 5-6, Pages: 395-401, Published: FEB 13 1998
DOI: 10.1016/S0009-2614(97)01393-6
Times Cited: 49
29. H. Shi, R.I. Eglitis, and G. Borstel.
Ab initio calculations of the CaF2 electronic structure and F centers. Physical Review B, Volume: 72, Issue: 4, Published: JUL 2005
DOI: 10.1103/PhysRevB.72.045109
Times Cited: 49
30. J.R. Kalnin, E.A. Kotomin, and J. Maier.
Calculations of the effective diffusion coefficient for inhomogeneous media.
Journal of Physics and Chemistry of Solids Volume: 63 Issue: 3 Pages: 449-456 Published: MAR 2002
DOI: 10.1016/S0022-3697(01)00159-7
Times Cited: 47
31. E.A. Kotomin, R.I. Eglitis, A.V. Postnikov, G. Borstel, and N.E. Christensen.
First-principles and semiempirical calculations for bound-hole polarons in KNbO3.
Physical Review B, Volume: 60, Issue: 1, Pages: 1-5, Published: JUL 1 1999
DOI: 10.1103/PhysRevB.60.1
Times Cited: 47
32. E. Heifets, W.A. Goddard, III, E.A. Kotomin, R.I. Eglitis, and G. Borstel.
Ab initio calculations of the SrTiO3 (110) polar surface.
Physical Review B, Volume: 69, Issue: 3, Published: JAN 2004 DOI: 10.1103/PhysRevB.69.035408
Times Cited: 45
33. R.I. Eglitis, and D. Vanderbilt.
Ab initio calculations of BaTiO3 and PbTiO3 (001) and (011) surface structures.
Physical Review B, Volume: 76, Issue: 15, Published: OCT 2007
DOI: 10.1103/PhysRevB.76.155439
Times Cited: 45
34. Yu.F. Zhukovskii, E.A. Kotomin, R.A. Evarestov, and D.E. Ellis.
Periodic models in quantum chemical Simulations of F Centers in crystalline metal oxides.
International Journal of Quantum Chemistry, Volume: 107, Issue: 14, Pages: 2956-2985, Published: NOV 15 2007
DOI: 10.1002/qua.21483
Times Cited: 44
35. Yu.A. Mastrikov, E. Heifets, E.A. Kotomin, and J. Maier.
Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces.
Surface Science, Volume: 603, Issue: 2, Pages: 326-335, Published: JAN 15 2009
DOI: 10.1016/j.susc.2008.11.034
Times Cited: 43

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