Publications

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 K_1-xLi_xTi_1-yNb_yO₃ 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. 10^th 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. 12^th 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) (10^th 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 KTa_1-xNb_xO₃ 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. 2^nd 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. 3^rd 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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