Publications
2001
1. J.T. Devreese, V.M. Fomin, E.P. Pokatilov, E.A. Kotomin, R.I. Eglitis,
and Yu.F. Zhukovskii, Theory of bound polarons in oxide compounds. -
Phys. Rev. B, 2001, 63, 184304 (p. 1-6).
pdf
2. V.N. Kuzovkov, A.I. Popov, E.A. Kotomin, M.A. Monge, R. González,
and Y. Chen, The kinetics of F-center aggregation in thermochemically reduced
MgO single crystals. - Phys. Rev. B, 2001, 64, 064102 (p. 1-5).
pdf
3. E.A. Kotomin, V. Kashcheyevs, V.N. Kuzovkov, K. Schwartz, and C. Trautmann,
Modeling of primary defect aggregation in tracks of swift heavy ions in LiF. -
Phys. Rev. B, 2001, 64, 144108 (p. 1-7).
pdf
4. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel, Ab initio
modeling of surface structure for SrTiO3 perovskite crystals. - Phys. Rev. B,
2001, 64, 235417 (p. 1-5).
pdf
5. V.N. Kuzovkov, O. Kortlüke, and W. von Niessen, Comment on "Surface
restructuring, kinetic oscillations, and chaos in heterogeneous catalytic
reactions". - Phys. Rev. E, 2001, 63, 023101 (p. 1-5).
pdf
6. G. Zvejnieks and V.N. Kuzovkov, Monte-Carlo simulations for Lotka-type
model with reactant surface diffusion and interactions. - Phys. Rev. E, 2001,
63, 051104 (p. 1-10).
pdf
7. V. Kashcheyevs and V.N. Kuzovkov, Global oscillation mechanism in the
stochastic Lotka model. - Phys. Rev. E, 2001, 63, 061107 (p. 1-8).
pdf
8. Yu.F. Zhukovskii, E.A. Kotomin, S. Dorfman, D. Fuks, and A. Gordon,
Hartree-Fock study of adhesion and charge redistribution on the Ag/MgO(001)
interface. - Surf. Sci., 2001, 482-485, p. 66-72.
pdf
9. S. Dorfman, D. Fuks, A. Gordon, E.A. Kotomin, and P. Wyder,
Some nonlinear properties of ferroelectric smart materials. - Physica B,
2001, 304, p. 339-347.
pdf
10. A.I. Popov, R. González, M.A. Monge, Y. Chen, and E.A. Kotomin,
Dynamics of F-center annihilation in thermochemically reduced MgO single
crystals. - Solid State Commun., 2001, 118, p. 163-167. pdf
11. Yu.F. Zhukovskii and R.I. Kalendarev, Cluster simulations of structural
transformations in yellow arsenic. - J. Mol. Struct. (THEOCHEM), 2001,
544, p. 111-121.
pdf
12. B. Savoini, C. Ballesteros, J.E. Munoz-Santiuste, R. González, A.I. Popov,
and Y. Chen, Copper and iron precipitates in thermochemically reduced yttria-stabilized-zirconia crystals.
- Phil. Mag. Letters, 2001, 81, p. 555-561.
pdf
13. V.S. Vikhnin, R.I. Eglitis, S.E. Kapphan, E.A. Kotomin, and G. Borstel,
A new phase in ferroelectric oxides: the phase of charge transfer vibronic
excitons. - Europhys. Letters, 2001, 56, p. 702-708.
14. R.I. Eglitis, E.A. Kotomin and G. Borstel, Quantum chemical modelling of
polarons and perovskite solid solutions. - Comput. Mater. Sci., 2001, 21,
p. 530-534.
15. K. Kimura, S. Sharma, and A.I. Popov, Novel ultra-fast luminescence
from incipient ion tracks of insulator crystals: electron-hole plasma formation
in the track core. - Radiat. Measurements, 2001, 34, p. 99-103.
pdf
16. R.I. Eglitis, S.V. Izvekov, and M.R. Philpott, Modeling metal dissolution in
aqueous electrolyte: Hartree-Fock and molecular dynamics calculations. - In: "Solid-Liquid Interface Theory":
ACS Symp. Ser., 789, Ed. J.W. Halley, Oxford Univ. Press, 2001, p. 51-65.
17. J.R. Kalnin, E.A. Kotomin, and V.N. Kuzovkov, Calculation of the
effective diffusion coefficient in inhomogeneous solids. - Defect &
Diffusion Forum (Proc. Int. Conf. on Diffusion in Materials, Paris, 2000),
2001, 194-199, p. 163-168.
18. E.A. Kotomin, R.I. Eglitis, J. Maier and E. Heifets,
Calculations of the atomic and electronic structure for SrTiO3
perovskite
thin films. - Thin Solid Films (Proc. Spring EMRS, Strasbourg, 2001), 2001, 400,
p. 76-80.
19. E.A. Kotomin, V.N. Kuzovkov, and A.I. Popov, The kinetics of defect
aggregation and metal colloid formation in insulating solids under irradiation.
- Radiat. Def. Eff. Solids (Proc. Int. Conf. "Defects in Insulating
Materials", ICDIM'2000, Johannesburg, 2000), 2001, 155, p. 113-125.
20. V. Kashcheyevs, E.A. Kotomin, and V.N. Kuzovkov, Modelling of metal
colloid formation in tracks of swift heavy ions in ionic solids. - ibid, 2001, p. 145-151.
21. Yu.F. Zhukovskii, E.A. Kotomin, B. Herschend, K. Hermansson, and P.W.M. Jacobs,
A first-principles study of the Ag/a-Al2O3(0001) interface. - Int. J. Mol. Sci.
(Proc. Europ. Conf. "Elementary Steps on Heterogeneous Catalysis",
San Feliu de Guixols, Spain, 2001), 2001, 2, p. 271-280.
22. E. Heifets, E.A. Kotomin, R.I. Eglitis, and R.E. Cohen, Calculations
of perovskite surfaces relaxation. - MRS Proc. (Fall MRS, Boston, MA, 2000), 2001, Vol. 654, AA5.3 (p. 1-6).
23. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Computer modeling
of luminescence in ABO3 perovskites. - MRS Proc. (Spring MRS, San Francisco, CA, 2001),
Vol. 667, 2001, G1.8 (p. 1-6).
24. E. Heifets, R.I. Eglitis, E.A. Kotomin, and G. Borstel,
Calculations of Surface Structure for SrTiO3 perovskite. -
ibid, Vol. 672, 2001, O9.1 (p. 1-6).
25. V.S. Vikhnin, R.I. Eglitis, E.A. Kotomin, S. Kapphan, and G. Borstel,
New polaronic-type excitons in ferroelectric oxides: INDO-calculations and
experimental manifestation. - ibid, Vol. 677, 2001, AA4.15 (p. 1-6).
26. G. Borstel, R.I. Eglitis, and E.A. Kotomin, Computer modelling of KTN
solid solutions. - Proc. 12th IEEE Internat. Symp. "Applications of Ferroelectrics", Vol. 2
(Honolulu, HI, 2000), 2001, p. 671-674.
27. E. Heifets, R.I. Eglitis, E.A. Kotomin, and G. Borstel,
First-principles and semi-empirical calculations of atomic and
electronic structure of the (100) and (110) perovskite surfaces. -
AIP Conf. Proc., Vol. 582, "Fundamental Physics of Ferroelectrics" (Williamsburg Int. Workshop, VA, 2001), 2001, p. 201-210.
28. V.S. Vikhnin, R.I. Eglitis, E.A. Kotomin, S.E. Kapphan, and G. Borstel.
New polaronic-like excitons in ferroelectric oxides. - ibid, 2001,
p. 228-239.
29. O. Sychev, Yu.F. Zhukovskii, E.A. Kotomin, and Yu.N. Shunin, Adhesion of
silver on the Al-terminated corundum (0001) surface: Hartree-Fock simulations. -
Comput. Model. New Technol. (Latvia), 2001, 5(1), p. 7-17.
30. J.R. Kalnin and E.A. Kotomin, A novel relation for the effective diffusion
coefficient in inhomogeneous media. - ibid, 2001, p. 18-27.
31. Yu.F. Zhukovskii, D. Gryaznov, A. Finogenov, and Yu.N. Shunin,
Ab initio simulations of the Cu/MgO(001) interface. - ibid,
p. 28-41.
32. K. Kimura, S. Sharma, and A.I. Popov, Dynamics of incipient ion tracks
in wide-band-gap materials: electron-hole plasma luminescence from ion tracks
and initiation of defect formation. - RIKEN Accel. Progress Rep. (Japan), 2001, 34,
p. 159.
33. A.I. Popov, S. Sharma, and K. Kimura, Ultrafast luminescence of CsI
scincillator crystals under heavy-ion irradiation. - ibid, 2001, p. 160.
2002
1. 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. - Phys. Rev. B, 2002, 65, 104304 (p. 1-11).
pdf
2. V.N. Kuzovkov and G. Zvejnieks, Reply to "Comment on 'Monte Carlo
simulations for a Lotka-type model with reactant surface diffusion and
interactions' ". - Phys. Rev. E, 2002, 65, 033102 (p. 1-4).
pdf
3. V.N. Kuzovkov, O. Kortlüke, and W. von Niessen, Kinetic model
for surface reconstruction. - Phys. Rev. E, 2002, 66, 011603 (p. 1-10).
pdf
4. G. Zvejnieks and V.N. Kuzovkov, Model of the catalytic A+B -> 0 reaction
with surface reconstruction. – Phys. Rev. E, 2002, 66, 021109 (p. 1-9).
pdf
5. O. Kortlüke, V.N. Kuzovkov, and W. von
Niessen, Internal spationtemporal stochastic resonance in the presence of
weak noise. – Phys. Rev. E, 2002, 66, 036139 (p. 1-7).
pdf
6. D. Fuks, S. Dorfman, Yu.F. Zhukovskii, E.A. Kotomin, and A.M. Stoneham,
Theory of the growth mode for a thin metallic film on an insulating substrate. -
Surf. Sci., 2002, 499, p. 24-40.
pdf
7. E. Heifets, R.I. Eglitis, E.A. Kotomin, J. Maier, and G. Borstel,
First-principles calculations for SrTiO3(100) surface structure. -
Surf. Sci., 2002, 513, p. 211-220.
pdf
8. Yu.F. Zhukovskii, E.A. Kotomin, B. Herschend, K. Hermansson,
and P.W.M. Jacobs, The adhesion properties of the Ag/a-Al2O3
(0001) interface: an ab initio study. - Surf. Sci., 2002, 513, p. 343-358.
pdf
9. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Qunatum chemical modelling
of electron polarons and charge-transfer vibronic excitations in BaTiO3
perovskite crystals. - J. Phys.: Cond. Matter, 2002, 14, p. 3735-3741.
pdf
10. R.I. Eglitis, E.A. Kotomin, S.E. Kapphan and G. Borstel, Qunatum chemical
modelling of electron polarons and "green" luminiscence in PbTiO3 perovskite
crystals. - J. Phys.: Cond. Matter, 2002, 14, p. L647-L653.
pdf
11. V.N. Kuzovkov, W. von Niessen, V.
Kashcheyevs, and O. Hein, Exact analytic solution for the generalized Lyapunov exponent of the
two-dimensional Anderson localization. - J. Phys.: Cond. Matter, 2002, 14, p. 13777-13797.
pdf
12. J.R. Kalnin, E.A. Kotomin, and J. Maier, Calculations of the effective
diffusion coefficient for inhomogeneous media. - J. Phys. Chem. Solids, 2002,
63, p. 449-456.
pdf
13. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical modelling of
"green" luminescence in ABO3 perovskites. – Eur. Phys. J. B, 2002, 27,
p. 483-486
14. G. Borstel, R.I. Eglitis, E.A. Kotomin, and E. Heifets, Modeling of
defects and surfaces in perovskite ferroelectrics. - J. Cryst. Growth (Proc. Int. Conf. Crystal Growth,
Kyoto, 2001), 2002,
237-239, p. 687-693.
15. R.I. Eglitis, V.A. Trepakov, S.E. Kapphan and G. Borstel. Large-scale computer modellind of Li impurities
in KTaO3 and K1-xLixTi1-yNbyO3
perovskite solid solutions. - Cryst. Eng. (Proc. Spring EMRS, Strasbourg, 2002), 2002,
5, p. 227-233.
16. E.A. Kotomin and R.A. Evarestov, Large-scale ab initio modelling of defects
in perovskites: Fe impurity in SrTiO3. - Comput. Mat. Sci. (Proc. Spring EMRS, Strasbourg, 2001), 2002, 24,
p. 14-20.
17. D. Fuks, S. Dorfman, Yu.F. Zhukovskii, E.A. Kotomin, and A.M. Stoneham,
Effect of electron correlation corrections on phase competition in Ag film on
MgO substrate. - ibid, 2002, p. 66-71.
18. E.A. Kotomin, J. Maier, R.I. Eglitis, and G. Borstel, Calculations of
radiation-induced point defects, polarons and excitons in ferroelectric
perovskites. - Nucl. Instr. Meth. Phys. Research B
(Proc. Int. Conf. "Radiation Effects in Insulators", REI-11, Lisbon, 2001)
2002, 191, p. 22-26.
19 K. Kimura, S. Sharma, and A.I. Popov, Fast electron-plasma luminescence
from track-cores in heavy-ion irradiated wide-band-gap crystals. - ibid,
2002, 191, p. 48-53.
pdf
20. E.A. Kotomin, V.N. Kuzovkov, A.I. Popov, M.A. Monge, R. González, and Y. Chen,
Diffusion-controlled annihilation and aggregation of F-centers in thermochemically
reduced MgO crystals. - ibid, 2002, 191, p. 208-211.
pdf
21. V.S. Vikhnin, R.I. Eglitis, and S.E. Kapphan, Charge transfer vibronic
excitons in incipient ferroelectrics and related problems. – Ferroelectrics,
2002, 265, p. 177-187.
22. R.I. Eglitis, E.A. Kotomin, G. Borstel, and V.S. Vikhnin, Computer
modeling of point defects in perovskite crystals. – Ferroelectrics (Proc. 10th Int.
Meeting of Ferroelectr., Madrid, 2001), 2002,
268, p. 59-64.
23. V. Kashcheyevs, E.A. Kotomin, and V.N. Kuzovkov, Modeling of primary
defect aggregation in tracks of swift heavy ions in alkali halides. -
Surf. & Coat. Technol. (Proc. 12th Int. Conf. Surface Modification of Materials by Ion Beam, Marburg, 2001),
2002, 158-159, p. 269-272.
pdf
24. E.A. Kotomin, Yu.F. Zhukovskii, S. Dorfman, and D. Fuks,
Atomistic theory of the growth mode for a thin metallic film on an
insulating substrate. - Proc. NATO Advanced Research Workshop
"Atomistic Aspects of Epitaxial Growth" (ARW, Dassia, Greece, 2001), 2002, p. 525-534.
25. E. Heifets, R.I. Eglitis, E.A.
Kotomin, and G. Borstel, Ab initio calculations for SrTiO3(100)
surface structure. - AIP Conf. Proc., Vol. 626, "Fundamental Physics of
Ferroelectrics" (Williamsburg Int. Workshop, Washington, DC, 2002), 2002, p. 285-293.
26. R.I. Eglitis, E. Heifets, E.A. Kotomin, and G. Borstel, Calculations
of atomic and electronic structure for (100)
surfaces of SrTiO3 perovskite. - MRS Symp. Proc.
(Spring MRS, San Francisco, CA, 2002), 2002, Vol. 718, D10.16 (p. 1-6).
27. R.I. Eglitis, V.S. Vikhnin, E.A. Kotomin, S.E. Kapphan, and G. Borstel,
Theoretical prediction and experimental confirmation of charge transfer vibronic
excitons and their phase in ABO3 perovskite crystals. -
ibid, 2002, Vol. 718, D10.32 (p. 1-6).
28. R.I. Eglitis, E.A. Kotomin and G. Borstel, Calculations of the electronic
and atomic structure and diffusion of point defects in KNbO3
perovskite crystals
and relevant KTN solid solutions. - ibid, 2002, Vol. 718, D11.11 (p. 1-6).
29. R.A. Evarestov, R.I. Eglitis, S. Piskunov, E.A. Kotomin, and G. Borstel,
Large scale ab initio simulations of
Fe-doped SrTiO3 perovskites. - ibid, 2002, Vol. 731, W3.12 (p. 1-6).
30. E.A. Kotomin, J. Maier, A.M. Stoneham, Yu.F. Zhukovskii, D.Fuks, and
S. Dorfman, Ab initio modelling of metal adhesion to ceramics. -
Proc. CIMTEC'02, Vol. 3(C) (10th Int. Ceram. Congr., Florence, 2002), 2002, p. 669-682.
31. D. Fuks, S. Dorfman, Yu.F. Zhukovskii, E.A. Kotomin, and A.M. Stoneham,
Thermodynamics of the initial state of growth for a thin metallic film on an
insulating substrate. - ibid, 2002, p. 683-694.
32. R.I. Eglitis and M.R. Philpott, Computer modelling of metal dissolution
in the presence of aqueous electrolyte. - Chinese Phys. Lett., 2002, 19,
No. 3, p. 389-390.
33. P.W.M. Jacobs, Yu.F. Zhukovskii, Yu. Mastrikov, and Yu.N. Shunin, Bulk and
surface properties of metallic aluminium: DFT simulations. - Comput. Model.
New Technol. (Latvia), 2002, 6(1), p. 7-28.
34. E.A. Kotomin, E. Heifets, R.I. Eglitis, J. Maier, and G. Borstel, Ab initio modelling
of the atomic and electronic structure of SrTiO3(100) surface
structure. - Comput. Model. New Technol. (Latvia), 2002, 6(2), p. 7-20.
2003
1. "Computational Materials Science": NATO Science Series, III: Computer and Systems Sciences,
Vol. 187; Eds. C.R.A. Catlow and E.A. Kotomin, IOS Press, 2003 (E.A. Kotomin, R.I. Eglitis, G. Borstel, and P.W.M. Jacobs, Modelling of point defects,
polarons and exitons in ferroelectric perovskites (review), p. 291-307). pdf (5 Mb)
2. R.A. Evarestov, S. Piskunov, E.A. Kotomin, and G. Borstel, Single impurities in insulators: ab initio study
of Fe-doped SrTiO3. - Phys. Rev. B, 2003, 67, 064101 (p. 1-9).
pdf
3. B. Herschend, K. Hermansson, M. Alfredsson, Yu.F. Zhukovskii, E.A. Kotomin, and
P.W.M. Jacobs, Characterization of the metal-ceramic bonding in the
Ag/MgO(100) interface from ab initio calculations. - J. Phys. Chem. B, 2003, 107, p. 11893-11899.
pdf
4. Yu.F. Zhukovskii, P.W.M. Jacobs,
and M. Causá, On the mechanism
of the interaction between oxygen and close-packed single-crystal aluminum
surfaces. - J. Phys. Chem. Solids, 2003, 64, p. 1317-1331.
pdf
5. G. Borstel, R.I. Eglitis, E.A. Kotomin, and E. Heifets, Modelling of defects and surfaces
in perovskite ferroelectrics. – Phys. Status Solidi (b), 2003, 236, p.
253-264. pdf
6.
E.A. Kotomin, V.N. Kuzovkov, G. Zvejnieks, Yu.F. Zhukovskii, D. Fuks, S.
Dorfman, and A.M. Stoneham, The kinetic MC modelling of reversible pattern
formation in initial stages of thin metallic film growth on crystalline
substrates. – Solid State Commun., 2003, 125, p. 463-467.
pdf
7.
R.I. Eglitis, V.A. Trepakov, S.E. Kapphan, and G. Borstel, Quantum chemical modelling
of “green” luminescence in self-activated perovskite-type oxides. – Solid
State Commun., 2003, 126, p. 301-304.
pdf
8. R.A. Evarestov, E.A. Kotomin, E. Heifets, J. Maier, and G. Borstel, Ab initio Hartree-Fock calculations of LaMnO3(110)
surfaces. – Solid
State Commun., 2003, 127, p. 367-371.
pdf
9. E.A. Kotomin, E. Heifets, J. Maier, and W.A. Goddard III, Atomistic simulations of the LaMnO3(110) polar surface. -
Phys. Chem. & Chem. Phys., 2003, 5, 4180-4184
pdf
10. A. Gunhold, L. Beuermann, K. Gömann, G. Borchardt, V. Kempter, W. Maus-Friedrichs, S. Piskunov, E.A. Kotomin, and S. Dorfman,
Study of the electronic and atomic structure of thermally treated SrTiO3(110) surfaces. – Surf. Interf. Analysis,
2003, 35, p. 998–1003
pdf
11. R.I. Eglitis,
E.A. Kotomin, G. Borstel, S.E. Kapphan, and V.S. Vikhnin, Semi-empirical
calculations of the electronic and atomic structure of polarons and excitons
in ABO3 perovskite crystals. – Comput. Mater. Sci., 2003, 27,
p. 81-86.
pdf
12. V.S. Vikhnin, S.E. Kapphan, I.L. Kislova, R.I. Eglitis, and P.A. Markovin, Manifestation of polaronic
states in ferroelectric
relaxor PMN. – Ferroelectrics, 2003, 285, p. 291-302.
pdf
13. E.A. Kotomin and Yu.F. Zhukovskii, Ab initio modelling of metal adhesion
to ceramics. - Defect & Diffusion Forum, 2003, 218-220, p. 67-78.
14. E.A. Kotomin, J. Maier, Yu.F. Zhukovskii, D.
Fuks, and S. Dorfman, Ab initio modelling of silver adhesion on the
corundum (0001) surface - Mater.
Sci. & Eng. C (Proc. Spring EMRS, Strasbourg, 2002) 2003, 23, p. 247-252.
15. R.I. Eglitis, E.
Heifets, E.A. Kotomin, J. Maier, and G. Borstel, First-principles
calculations of perovskite thin films. –
Mater. Sci. Semicond. Processing (Proc. Spring EMRS, Strasbourg, 2002) 2003, 72, p.
129-134.
16. R.I. Eglitis, D. Fuks,
S. Dorfman, E.A. Kotomin, and G. Borstel, Large-scale modelling of the phase
transitions in KTa1-xNbxO3 perovskite solid
solutions. – ibid, 2003, p. 153-157.
17. O. Entin-Wohlman, A.
Aharony, and V. Kashcheyevs, Quantized adiabatic quantum pumping due to
interference. – J. Phys. Soc. Jpn (Proc. Int. Conf. Quant. Transp. &. Quant.
Localisation, Tokyo, 2002) 2003, 72A, p. 77-82.
18. O. Entin-Wohlman, A. Aharony, and V. Kashcheyevs,
Adiabatic quantum pumping of coherent electrons. -
Turk. J. Phys., (Proc. Int. Sci. School Quant. Comput., Istanbul, 2003) 2003, 27, p. 371-381.
19. R.I. Eglitis, E.A. Kotomin, G. Borstel, and V.S. Vikhnin. Quantum chemical modeling of electron and hole
polarons
in ABO3 perovskites. - AIP Conf. Proc., Vol. 677, "Fundamental Physics of
Ferroelectrics" (Williamsburg Int. Workshop, VA, 2003),
2003, p. 205-209.
20. E. Heifets, R. I. Eglitis, E. A. Kotomin, W.A. Goddard III, and G. Borstel, Calculations of perovskite
polar surface structures. - ibid, 2003, p. 210-219.
21. R. I. Eglitis, D. Fuks, S. Dorfman, E. A. Kotomin, G. Borstel, and V.A. Trepakov.
Large-scale quantum chemical modeling of the phase transitions in KNT solid solutons.
- ibid, 2003, p. 231-241.
22. Yu.F. Zhukovskii, E.A. Kotomin, and P.W.M. Jacobs, Large scale computer simulations
of metal-oxide interfaces with defects. – SPIE Proc. , Vol. 5122, "Advanced
optical materials and devices" (Int. Conf. AOMD3, Riga, 2002), 2003, p. 104-111.
23. G. Borstel, R.I. Eglitis, and E.A. Kotomin, Computer modelling of point
defects, polarons and excitons in perovskite ferroelectrics.
– ibid, 2003, p. 258-268.
24. S. Piskunov, R.A. Evarestov, R.I. Eglitis, E.A. Kotomin, and G. Borstel,
Large scale first-principles calculations of Fe-doped SrTiO3. -
ibid, 2003, p. 276-284.
25. Yu.F. Zhukovskii, A. Kovalevska, P.W.M. Jacobs, and Yu.N. Shunin, DFT simulations on a regular O/Al(001) interface. -
Comput. Model. New Technol. (Latvia), 2003, 7(1), p.
7-17.
26. P.W.M. Jacobs, Yu.F.Zhukovskii, A. Kovalevska, and Yu.N. Shunin, DFT simulations of the
interaction between oxygen and a stepped Al(111) substrate. - ibid, 2003, p. 18-23.
27. S. Piskunov, E. Heifets, E.A. Kotomin, and Yu.N. Shunin,
B3PW and B3LYP exchange-correlation techniques in CRYSTAL computer code: the
case of ABO3 perovskites. - Proc. Int. Conf. "Information Technologies and Management"
(IT&M, Riga, 2003) 2003, p. 70-81.
28. O. Sychev, G. Borstel, Yu.F. Zhukovskii, E.A. Kotomin, and Yu.N. Shunin, DFT simulations of the Cu/MgO(001) interface.
– ibid, 2003, p. 82-94.
29. Yu. Mastrikov, Yu.F. Zhukovskii, E.A. Kotomin, and Yu.N. Shunin,
Hartree-Fock simulation on the AgCl(111)/a-Al2O3
(0001) interface. - ibid, 2003, p. 95-98.
30. Yu.N. Shunin, K. Budilov, Yu.F. Zhukovskii, O. Sychev,
and G. Borstel, Electronic and elastic properties of Cu-interconnects. - ibid, 2003, p. 99-110.
31. A. Kovalevska, Yu.F. Zhukovskii, P.W.M. Jacobs, and Yu.N. Shunin, On the mechanism of interaction
between oxygen and regular Al(111) surface. - ibid, 2003, p. 111-122.
2004
1. E. Heifets, W.A. Goddard III, E.A. Kotomin, R.I. Eglitis, and G.
Borstel,
Ab initio calculations of the SrTiO3 (110) polar surfaces.
- Phys. Rev. B, 2004, 69, 035408 (p. 1-7).
pdf
2. V. Kashcheyevs, A. Aharony, and O. Entin-Wohlman,
Resonance approximation and charge loading/unloading in adiabatic quantum pumping. -
Phys. Rev. B., 2004, 69, 195301 (p. 1-9).
pdf
3. R. Salazar, A.P.J. Jansen, and V.N. Kuzovkov,
Synchronization of surface reactions via Turing-like structures.
- Phys. Rev. E, 2004, 69, 031604 (p. 1-4).
pdf
4. Yu.F. Zhukovskii, E.A. Kotomin, D. Fuks, and S. Dorfman, First principles simulations of the regular Cu/MgO(001)
interface. - Surf. Sci., 2004, 566-568, p. 122-129.
pdf
5. E.A. Kotomin, E. Heifets, S. Dorfman, D. Fuks, A. Gordon, and J. Maier,
Comparative study of polar perovskite surfaces.
– Surf. Sci., 2004, 566-568, p. 231-235.
pdf
6. V.N. Kuzovkov, V. Kashcheyevs, and W. von Niessen,
Reply to Comment on 'Exact analytic solution for the generalized Lyapunov exponent of the two-dimensional
Anderson localization'. - J. Phys.: Cond. Matter, 2004, 16, p. 1683-1685.
pdf
7. Yu.F. Zhukovskii, E.A. Kotomin, D. Fuks, S. Dorfman, A.M. Stoneham, and G. Borstel, Adhesion trends and
growth mode of ultra-thin copper films on MgO. - J. Phys.: Cond. Matter, 2004, 16, p. 4881-4896.
pdf
8. G. Zvejnieks, V.N. Kuzovkov, O. Dumbrajs, A.W. Degeling, W. Suttrop. H. Urano, and H. Zohm, Autoregressive moving
average model for analyzing edge localized mode time series on Axially Symmetric Divertor Experiment (ASDEX)
Upgrade tokamak - Phys. Plasmas, 2004, 11, p. 5658-5667.
pdf
9. O. Kortlüke, V.N. Kuzovkov, and W. von Niessen, Forced oscillations in a self-oscillating surface reaction model. -
Phys. Chem. & Chem. Phys., 2004, 6, p. 1227-1229. pdf
10. L. Grigorjeva, D.K. Millers, V. Pankratov, R.T. Williams, R.I. Eglitis, E.A. Kotomin, and G. Borstel,
Experimental and theoretical studies of polaron optical properties in KNbO3 perovskite. - Solid State Commun., 2004, 129, p. 691-696.
pdf
11. A.V. Sidorenko, A.J.J. Bos, P. Dorenbos,
C.W.E. van Eijk, P.A. Rodnyi, I.V. Berezovskaya, V.P. Dotsenko,
and A.I. Popov, Storage properties of Ce3+ doped
haloborate phosphors enriched
with 10B isotope. - J. Appl. Phys., 2004, 95, p. 7898-7902.
pdf
12. S. Piskunov, E. Heifets, R.I. Eglitis, and G. Borstel, Bulk properties of SrTiO3,
BaTiO3 and PbTiO3 perovskites: an ab initio
HF/DFT study. - Comput.
Mater. Sci., 2004, 29, p. 165-178.
pdf
13. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Computer modeling of point
defects in ABO3 perovskites and MgO.
- Comput. Mater. Sci., 2004, 30, p. 376-382.
pdf
14. Yu.F. Zhukovskii, E.A. Kotomin, and G. Borstel, Adsorption of single Ag and
Cu
atoms on regular and defective MgO(001) substrates: an ab initio study. -
Vacuum,
2004, 74, p. 235-240.
15. V. Kashcheyevs, A. Aharony, and O. Entin-Wohlman,
Quantized charge pumping by surface acoustic waves in ballistic
quasi-1D channels. - Euro. Phys. J. B, 2004, 39, p. 385-396.
16. V.N. Kuzovkov and W. von Niessen, The phase diagram of the
multi-dimensional Anderson localization via analytic determination of Lyapunov exponents. -
Europ. Phys. J. B, 2004, 42, p. 529-542.
17. A.W. Degeling, J.B. Lister, Y.R. Martin, and G. Zvejnieks, Were the chaotic ELMs in TCV the result of an
ARMA process? - Plasma Phys. Control. Fusion, 2004, 46, p. L15-L21.
18. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Large-scale
computer modelling of point defects, polarons, and
perovskite solid solutions. -
Defect & Diffusion Forum, 2004, 226-228, p. 169-180.
19. R.I. Eglitis, S. Piskunov, E. Heifets, E.A. Kotomin, and G. Borstel,
Ab initio study of the SrTiO3, BaTiO3, PbTiO3 (001) surfaces. -
Ceram. Intern. (Proc. 2nd Int. Conf. ICMAT, Singapore, 2003), 2004, 30, p. 1989-1992.
20.
Yu.F. Zhukovskii, E.A. Kotomin, D. Fuks, S. Dorfman, A.M. Stoneham,
O. Sychev, and G. Borstel, First principles simulations of 2D Cu supperlattices
on the MgO(001) surface. - Appl. Surf. Sci.
(Proc. Spring EMRS, Strasbourg, 2003), 2004, 226, p. 298-305.
21. R.A. Evarestov, E.A. Kotomin, D. Fuks, J. Felsteiner, and J. Maier,
Ab initio calculations of the LaMnO3 surface properties. -
Appl. Surf. Sci.
(Proc. Int. Meeting on Applied Physics, Badajos, 2003), 2004,
238, p. 457-463.
22. E. Heifets, R.A. Evarestov, E.A. Kotomin, S. Dorfman, and J. Maier, Atomistic modelling of polar LaMnO3
surfaces. - Sensors & Actuators B (Proc. Spring EMRS, Strasbourg, 2003), 2004,
100, p. 81-87.
23. D. Fuks, S. Dorfman, I. Bakaleinikov, A. Gordon, and E.A. Kotomin,
The electronic structure of perovskite manganates. - Solid State Ionics
(Proc. Spring
EMRS, Strasbourg, 2004), 2004, 173, p. 107-111.
24. Yu.F. Zhukovskii, E.A. Kotomin, D. Fuks, and S. Dorfman,
A comparative study of Ag and Cu adhesion on MgO(001) surface. - Superlattices
and Microstructures
(Proc. Spring EMRS, Strasbourg, 2004), 2004, 36, p. 63-72.
25. O. Sychev, Yu.F. Zhukovskii, E.A. Kotomin, and G. Borstel, Ab initio
calculations of
copper nanostructures on MgO substrate. - Solid State Phenomena (Proc. Fall EMRS,
Warsaw,
2003), 2004, 99-100, p. 219-222.
26. V.S. Vikhnin, S. Kapphan, and R.I. Eglitis, Localized polaronic exiton and
active impurity problems in incipient and relaxor ferroelectrics. - Ferroelectrics
(Proc. 3rd Int. Seminar on Relaxor Ferroelectrics, ISRF-III, Dubna, 2000), 2004, 299, p. 11-20.
27. V.S. Vikhnin, R.I. Eglitis, and G. Borstel, Polaronic exitons in ferroelectric oxides: Phemenological and microscopic
theory, and manifestation of polaron exiton phase. - ibid, 2004, p. 21-33.
28. V.N. Kuzovkov, E.A. Kotomin, and G. Zvejnieks, Modelling of pattern formations in thin metallic film growth on crystalline
substrates - Comput. Model. New Technol. (Latvia), 2004, 8, p. 7-19.
29. J.R. Kalnin, How to overcome instructional learning. - Proc. 2. Int. Conf. "Information Technologies and Management"
(IT&M, Riga, 2004) 2004, p. 21-25.
30. Yu.F. Zhukovskii, O. Sychev, E.A. Kotomin, G. Borstel, and Yu.N. Shunin,
DFT modelling of transition metal adhesion on the MgO(001) surface. - ibid, 2004, p. 78-91.
31. S. Piskunov, E.A. Kotomin, E. Heifets, and Yu.N. Shunin, The electronic structure of SrTiO3, BaTiO3, and PbTiO3 perovskite (001) surfaces: ab initio DFT/B3PW calculations.
– ibid, 2004, p. 92-117.
32. Yu.A. Mastrikov, Yu.F. Zhukovskii, E.A. Kotomin, and Yu.N. Shunin, Diffusion of silver ions on the AgCl(111)/a-Al2O3(0001) interface: first principles simulation.
– ibid, 2004, p. 118-125.
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