Structural properties and quasiparticle band structure of zirconia

Physical Review B - Condensed Matter and Materials Physics

Volumn 57, Issue 12, 1998, Pages 7027-7036

  Králik, Balázs ^a   Chang, Eric K ^a   Louie, Steven G ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042950395     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.57.7027     Document Type: Article

References (34)

1. E. Ryshkewitz and D. W. Richardson, Oxyde Ceramics. Physical Chemistry and Technology (General Ceramics, Haskell, NJ, 1985).
2. Zirconia ’88. Advances in Zirconia Science and Technology, edited by S. Meriani (Elsevier, New York, 1989).
3. R. H. French et. al Phys. Rev. B 49, 5133 (1994).
4. R. Orlando, C. Pisani, C. Roetti, and E. V. Stefanovich, Phys. Rev. B 45, 592 (1992).
5. L. Hedin and S. Lundquist, in Solid State Physics, edited by F. Seitz, D. Turnbull, and H. Ehrenreich (Academic, New York, 1969), Vol. 23, p. 1.
6. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 34, 5390 (1986).
7. S. B. Zhang et. al Phys. Rev. B 40, 3162 (1989).
8. For a recent review, see, e.g., S. G. Louie, in Quantum Theory of Real Materials, edited by J. R. Chelikowsky and S. G. Louie (Kluwer, Boston, 1996), p. 83.
9. M. Rohlfing, P. Krüger, and J. Pollmann, Phys. Rev. Lett. 75, 3489 (1995).
10. O. Zakharov et. al Phys. Rev. B 50, 10 780 (1994).
11. O. Zakharov, A. Rubio, and M. L. Cohen, Phys. Rev. B 51, 4926 (1995).
12. F. Aryasetiawan and O. Gunnarsson, Phys. Rev. Lett. 74, 3221 (1995).
13. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
14. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
15. B. Pfrommer, M. Cote, S. G. Louie, and M. L. Cohen, J. Comput. Phys. 131, 233 (1997).
16. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
17. D. R. Hamann, M. Schluter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
18. L. Kleinman and D. M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
19. X. Gonze, P. Käckell, and M. Scheffler, Phys. Rev. B 41, 12 264 (1990).
20. J. C. Phillips, Phys. Rev. 123, 420 (1961).
21. S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B 26, 1738 (1982).
22. E. L. Shirley, X. Zhu, and S. G. Louie, Phys. Rev. Lett. 69, 2955 (1992).
23. M. Yoshimura, Am. Ceram. Soc. Bull. 67, 1950 (1988).
24. E. V. Stefanovich, A. L. Shluger, and C. R. Catlow, Phys. Rev. B 49, 11 560 (1994).
25. K. Negita, Acta Metall. 37, 313 (1989).
26. K. Parlinski, Z. Q. Li, and Y. Kawazoe, Phys. Rev. Lett. 78, 4063 (1997).
27. H. J. F. Jansen, Phys. Rev. B 43, 7267 (1991).
28. R. Ackermann, E. G. Rauh, and C. A. Alexander, High. Temp. Sci. 7, 304 (1975).
29. F. Zandiehnadem, R. A. Murray, and W. Y. Ching, Physica B & C 150, 19 (1988).
30. M. L. Bortz and R. H. French, Appl. Spectrosc. 43, 1498 (1989).
31. A. Goossens, M. Vazquez, and D. D. Macdonald, Electrochim. Acta 41, 47 (1996).
32. Z.-W. Lu, D. Singh, and H. Krakauer, Phys. Rev. B 36, 7335 (1987).
33. C. Kittel, Introduction to Solid State Physics, 6th ed. (Wiley, New York, 1986).
34. B. G. Pfrommer, M. Cote, S. G. Louie, and M. L. Cohen, J. Comput. Phys. 131, 233 (1997).