Semiempirical Hartree-Fock calculations for

Physical Review B - Condensed Matter and Materials Physics

Volumn 54, Issue 4, 1996, Pages 2421-2427

  Eglitis, R ^a   Postnikov, A ^a   Borstel, G ^a  

^a UNIVERSITY OF OSNABRÜCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001242437     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.54.2421     Document Type: Article

References (34)

1. Yong-Nian Xu, W. Y. Ching and R. H. French, Ferroelectrics 111, 23 (1990).
2. T. Neumann, G. Borstel, C. Scharfschwerdt and M. Neumann, Phys. Rev. B 46, 10t623 (1992).
3. A. V. Postnikov, T. Neumann, G. Borstel and M. Methfessel, Phys. Rev. B 48, 5910 (1993).
4. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 49, 5828 (1994).
5. D. J. Singh and L. L. Boyer, Ferroelectrics 136, 95 (1992).
6. A. V. Postnikov, T. Neumann and G. Borstel, Phys. Rev. B 50, 758 (1994).
7. W. Zhong, R. D. King-Smith and D. Vanderbilt, Phys. Rev. Lett. 72, 3618 (1994).
8. R. Yu and H. Krakauer, Phys. Rev. Lett. 74, 4067 (1995).
9. S. Dorfman, D. Fuks, A. Gordon, A. V. Postnikov and G. Borstel, Phys. Rev. B 52, 7135 (1995).
10. D. J. Singh, Ferroelectrics 164, 143 (1995).
11. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
12. A. Svane and O. Gunarsson, Phys. Rev. Lett. 65, 1148 (1990).
13. V. I. Anisimov, J. Zaanen and O. K. Andersen, Phys. Rev. B 44, 943 (1991).
14. A. I. Liechtenstein, V. I. Anisimov and J. Zaanen, Phys. Rev. B 52, R5467 (1995).
15. M. A. Korotin, A. V. Postnikov, T. Neumann, G. Borstel, V. I. Anisimov and M. Methfessel, Phys. Rev. B 49, 6548 (1994).
16. H. Donnerberg and M. Exner, Phys. Rev. B 49, 3746 (1994).
17. A. Shluger, Theoret. Chim. Acta (Berl.) 66, 355 (1985).
18. E. Stefanovich, E. Shidlovskaya, A. Shluger and M. Zakharov, Phys. Status Solidi B 160, 529 (1990).
19. A. Shluger and E. Stefanovich, Phys. Rev. B 42, 9664 (1990).
20. P. W. M. Jacobs, E. A. Kotomin, A. Stashans, E. V. Stefanovich and I. Tale, J. Phys. Condens. Matter 4, 7531 (1992).
21. E. A. Kotomin, A. Stashans, L. N. Kantorovich, A. I. Lifshitz, A. I. Popov, I. Tale and J.-L. Calais, Phys. Rev. B 51, 8770 (1995).
22. E. V. Stefanovich, A. L. Shluger, and C. R. A. Catlow, Phys. Rev. B 49, 11t560 (1994).
23. A. L. Shluger and E. A. Kotomin, Phys. Status Solidi B 108, 673 (1981).
24. M. Methfessel, Phys. Rev. B 38, 1537 (1988).
25. S. Yu. Savrasov and D. Yu. Savrasov, Phys. Rev. B 46, 12t181 (1992).
26. O. K. Andersen, Z. Pawlowska and O. Jepsen, Phys. Rev. B 34, 5253 (1986).
27. E. Wiesendanger, Ferroelectrics 6, 263 (1974).
28. L. Douillard, F. Jollet, C. Bellin, M. Gautier and J. P. Duraud, J. Phys. Condens. Matter 6, 5039 (1994).
29. A. W. Hewat, J. Phys. C 6, 2559 (1973).
30. R. E. Cohen and H. Krakauer, Phys. Rev. B 42, 6416 (1990).
31. W. H. Press, B. P. Flannery, S. A. Teukolsky, and W. T. Vetterling, Numerical Recipes: The Art of Scientific Computing (Cambridge University Press, New York, 1986).
32. A. V. Postnikov and G. Borstel, Phys. Rev. B 50, 16t403 (1994).
33. M. D. Fontana, G. Métrat, J. L. Servoin and F. Gervais, J. Phys. C 17, 483 (1984).
34. F. Gervais, Y. Luspin, J. L. Servoin and A. M. Quittet, Ferroelectrics 24, 285 (1980).