Local density and generalized gradient approximation studies of knb03 and bati03

Ferroelectrics

Volumn 164, Issue 1, 1995, Pages 143-152

  Singh, David J ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GENERALIZED GRADIENT APPROXIMATION; LOCAL DENSITY APPROXIMATION; POTASSIUM NIOBATE;

APPROXIMATION THEORY; BARIUM TITANATE; COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; FERROELECTRICITY; MATHEMATICAL MODELS; POTASSIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

FERROELECTRIC MATERIALS;

EID: 0029218718     PISSN: 00150193     EISSN: 15635112     Source Type: Journal    
DOI: 10.1080/00150199508221836     Document Type: Article

References (36)

1. M. E. Lines and A. M. Glass, “Principles and Applications of Ferroelectrics and Related Materials,” (Alrendom, Oxford, 1977).
2. T. P. Dougherty, G. P. Wiederrecht, K. A. Nelson, M. H. Garrett, H. P. Jensen and C. Warde, Science, 258, 770 (1992), and references therein.
3. F. Jona and G. Shirane, “Ferroelectric Crystals,” (MacMillan, New York, 1962).
4. A. W. Hewat, J. Phys. C, 6, 2559 (1973).
5. W. Cochran, Phys. Rev. Lett., 3, 412 (1959).
6. W. Cochran, Adv. Phys., 9, 387 (1960).
7. J. L. Servoin, F. Gervais, A. M. Quittet and Y. Luspin, Phys Rev. B, 21, 2038 (1980).
8. Y. Luspin, J. L. Servoin and F. Gervais, J. Phys C, 13, 3761 (1980).
9. M. D. Fontana, G. E. Kugel, G. Metrat and C. Carabatos, Phys. Status Solidi (b), 103, 211 (1981).
10. G. Metrat, M. D. Fontana and J. L. Servoin, Ferroelectric Lett., 44, 241 (1983).
11. B. Jannot, L. Gnininvi and B. Godefroy, Ferroelectrics, 37, 669 (1983).
12. M. D. Fontana, G. Metrat, J. L. Servoin and F. Gervais, J. Phys. C, 17, 483 (1984).
13. R. Comes, M. Lambert and A. Guinier, C. R. Acad. Sci Paris, 226, 959 (1968).
14. R. Comes, M. Lambert and A. Guinier, Solid State Commun., 6, 715 (1968).
15. P. J. Edwardson, Phys. Rev. Lett., 63, 55 (1989).
16. D. J. Singh and L. L. Boyer, Ferroelectric, 136, 95 (1992).
17. R. E. Cohen and H. Krakauer, Phys. Rev. B, 42, 6416 (1990).
18. R. E. Cohen and H. Krakauer, Ferroelectrics, 136, 65 (1992).
19. R. E. Cohen, Nature, 358, 136 (1992).
20. W. Schildkamp and K. Fischer, Z. Krist., 155, 217 (1981).
21. R. Resta, M. Posternak and A. Baldereschi, Phys. Rev. Lett., 70, 1010 (1993);
22. R. D. King-Smith and D. Vanderbilt, Phys Rev. B, 47, 1651 (1993).
23. R. D. King-Smith and D. Vanderbilt, Ferroelectrics, 136, 85 (1992).
24. A. V. Postnikov, T. Neumann, G. Borstel and M. Methfessel, Phys Rev. B, 48, 5910 (1993).
25. D. Singh, Phys. Rev. B, 43, 6388 (1991).
26. O. K. Andersen, Phys. Rev. B, 12, 3060 (1975);
27. S. H. Wei and H. Krakauer, Phys. Rev. Lett., 55, 1200 (1985);
28. D. J. Singh, “Planewaves, Pseudopotentials and the LAPW Method,” (Kluwer Academic Press, Boston, 1994) and references therein.
29. L. Hedin and B. I. Lundqvist, J. Phys. C, 4, 2064 (1971).
30. J. P. Perdew, in “Electronic Structure of Solids 91,” edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991);
31. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh and C. Fiolhais, Phys. Rev. B, 46, 6671 (1992).
32. A. Baldereschi, Phys. Rev. B, 7, 5212 (1973);
33. H. J. Monkhorst and J. D. Pack, Phys. Rev. B, 13, 5188 (1976).
34. M. J. Mehl, D. J. Singh and D. A. Papaconstantopoulos, Mat. Sci. Eng., A170, 49 (1993), and references therein.
35. T. Neumann, G. Borstel, C. Scharfschwerdt and M. Neumann, Phys. Rev. B, 46, 10623 (1992).
36. Y. N. Xu, W. Y. Ching and R. H. French, Ferroelectrics, 111, 23 (1990).