2000

1. 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. - Phys. Rev. Letters, 2000, 84, p. 1256-1259. pdf

2. D. Fuks, S. Dorfman, E.A. Kotomin, Yu.F. Zhukovskii, and A.M. Stoneham, Theoretical analysis of the growth mode for thin metallic films on oxide substrates. - Phys. Rev. Letters, 2000, 85, p. 4333-4336. pdf

3. M.A. Monge, A.I. Popov, C. Ballesteros, R. González, Y. Chen, and E.A. Kotomin, Formation of anion vacancy cluster and nano cavities in thermochemically reduced MgO single crystals. - Phys. Rev. B, 2000, 62, p. 9299-9304. pdf

4. G. Zvejnieks and V.N. Kuzovkov, Monte Carlo simulations of the periodically forced autocatalytic A + B -> 2B reaction. - Phys. Rev. E, 2000, 61, p. 4593-4598. pdf

5. E. Heifets, E.A. Kotomin, and J. Maier, Semi-empirical simulations of surface relaxation for perovskite titanates. - Surf. Sci., 2000, 462, p. 19-36. pdf

6. Yu.F. Zhukovskii, E.A. Kotomin, P.W.M. Jacobs, A.M. Stoneham, and J.H. Harding, Modelling of silver adhesion on MgO(100) surface with defects. - J. Phys.: Cond. Matter, 2000, 12, p. 55-66. pdf

7. P.W.M. Jacobs, E.A.Kotomin, and R.I.Eglitis, Semi-empirical defect calculations for the perovskite KNbO3, - J. Phys.: Cond. Matter, 2000, 12, p. 569-574. pdf

8. R.I. Eglitis, E.A. Kotomin, and G. Borstel, Quantum chemical modelling of perovskite solid solutions. - J. Phys.: Cond. Matter, 2000, 12, p. L431-L434. pdf

9. E.A. Kotomin, R.I. Eglitis, and G. Borstel, Quantum chemical modelling of electron polarons and excitons in ABO3 perovskites. - J. Phys.: Cond. Matter, 2000, 12, p. L557-562. pdf

10. E. Heifets and E.A. Kotomin, Atomistic simulation of SrTiO3 and BaTiO3 (110) surface relaxations. - Thin Solid Films, 2000, 358, p. 1-5. pdf

11. E. Heifets, E.A. Kotomin, and P.W.M. Jacobs, Calculations of the Atomic Structure of KNbO3(100) Surface. - Thin Solid Films, 2000, 374, p.64-69. pdf

12. S.V. Izvekov, M.R. Philpott, and R.I. Eglitis, Ab initio simulation of metal cluster surrounded by electrolyte, - J. Electrochem. Soc., 2000, 147, p. 2273-2278. pdf

13. R.I. Eglitis, S.V. Izvekov, and M.R. Philpott, Metal dissolution in aqueous electrolyte. Semi-empirical Hartree-Fock and ab initio MD calculations. - Comput. Mater. Sci. (Proc. E-MRS, Strasbourg, 2000), 2000, 17, p. 275-278.

14. E.A. Kotomin, R.I. Eglitis and G. Borstel, Quantum chemical modelling of point defects in KNbO3 perovskite crystals. - ibid, 2000, p. 290-298.

15. M.A. Monge, R. González, J.E. Muñoz-Santiuste, R. Pareja, Y. Chen, E.A. Kotomin, and A.I. Popov, Photoconversion of F+ centers in neutron-irradiated MgO. - Nucl. Instr. Meth. Phys. Research B (Proc. Int. Conf. on Radiation Effects in Insulators, REI-10, Jena, 1999), 2000, 166-167, p. 220-224. pdf

16. E.A. Kotomin, R.I. Eglitis, G. Borstel, L.G. Grigorjeva, D.K. Millers, and V. Pankratov, Theoretical and experimental study of radiation defects in KNbO3 perovskite crystals. - ibid, p. 299-304.

17. A.I. Popov and E. Balanzat, Low temperature X-ray luminescence of KNbO3 crystals. - ibid, 2000, p. 305-308. pdf

18. A.I. Popov and E. Balanzat, F center production in CsI and CsI-Tl crystals under Kr ion irradiation at 15 K. - ibid, 2000, p. 545-549. pdf

19. G. Szenes, F. Pászti, A. Péter  and A.I. Popov, Tracks induced in TeO2 by heavy ions at low velocities. - ibid, 2000, p. 954-958. pdf

20. A.V. Postnikov, R.I. Eglitis, V.Cauciuc, and G. Borstel, First-principles simulations of ferroelectric oxides. - Ferroelectrics, 2000, 236, p. 47-58.

21. G. Borstel, E.A. Kotomin, R.I. Eglitis, and E.Heifets, Computer modelling of defects and surfaces in advanced perovskite ferroelectrics. - Japan. J. Appl. Phys., 2000, 39, p. 24-28.

22. G. Borstel, E.A. Kotomin, R.I. Eglitis, and E. Heifets, Computer modelling of point defects, impurity self-ordering and surfaces in advanced perovskite ferroelectrics. - Acta Physica Polonica, 2000, 98, p. 469-481.

23. N.E. Christensen, E.A. Kotomin, R.I. Eglitis, A.V. Postnikov, D.L. Novikov, S. Tinte, M.G. Stachiotti, and C.O. Rodriguez, Theoretical modelling of KNbO3 perovskites without and with defects. - Proc. NATO Advanced Research Workshop, "Defects and Surface-Induced Effects in Advanced Perovskites" (ARW, Riga, 1999), 2000, p. 3-16.

24. E.A. Kotomin, E. Heifets, W.A. Goddard, P.W.M. Jacobs, and G. Borstel, Theoretical simulations of surface relaxation for perovskite titanates. - ibid, 2000, p. 209-220.

25. S. Piskunov, Yu.F. Zhukovskii, E.A. Kotomin, and Yu.N. Shunin, Hartree-Fock calculations for a cubic SrTiO3 crystal. - Comput. Model. New Technol. (Latvia), 2000, 4(2), p. 7-17.

26. Yu.F. Zhukovskii, O. Sychev, P.W.M. Jacobs, and Yu.N. Shunin, DFT simulations of the interaction between oxygen and an Al(111) substrate. - ibid, 2000, p. 18-40.