Microscopic structure of the substitutional Al defect in α quartz

Physical Review B - Condensed Matter and Materials Physics

Volumn 61, Issue 4, 2000, Pages 2621-2625

  Magagnini, Marco ^a   Giannozzi, Paolo ^a   Dal Corso, Andrea ^a  

^a INFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000643673     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.61.2621     Document Type: Article

References (26)

1. A.L. Taylor and G.W. Farnell, Can. J. Phys. 42, 595 (1964).
2. R.H.D. Nuttall and J.A. Weil, Can. J. Phys. 59, 1696 (1981).
3. R.H.D. Nuttall and J.A. Weil, Can. J. Phys. 59, 1709 (1981).
4. J.J. Martin, J. Appl. Phys. 56, 2536 (1984).
5. A.B. Brik and V.S. Vikhnin, Fiz. Tverd. Tela (Leningrad) 28, 1183 (1986) [Sov. Phys. Solid State 28, 662 (1986)];
6. J. Toulouse, S. Ling, and A.S. Nowick, Phys. Rev. B 37, 7070 (1988).
7. M. Martini, A. Paleari, G. Spinolo, and A. Vedda, Phys. Rev. B 52, 138 (1995).
8. F. Sym, C.R.A. Catlow, M. Dupuis, and J.D. Watts, J. Chem. Phys. 95, 4215 (1991).
9. M. Boero, A. Pasquarello, J. Sarnthein, and R. Car, Phys. Rev. Lett. 78, 887 (1997); a configuration interaction study can be found in
10. Phys. Rev. Lett.G. Pacchioni and G. Ieranò, 79, 753 (1997).
11. A. Continenza and A. Di Pomponio, Phys. Rev. B 54, 13 687 (1996).
12. J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
13. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
14. G.B. Bachelet, D.R. Hamann, and M. Schlüter, Phys. Rev. B 26, 4199 (1982).
15. S. Baroni and R. Resta, Phys. Rev. B 33, 7017 (1986).
16. U. Röthlisberger, W. Andreoni, and P. Giannozzi, J. Chem. Phys. 96, 1248 (1992).
17. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
18. S.G. Louie, S. Froyen, and M.L. Cohen, Phys. Rev. B 26, 1738 (1982).
19. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
20. F. Liu, S.H. Garofalini, D. King-Smith, and D. Vanderbilt, Phys. Rev. B 49, 12 528 (1994).
21. R.W.G. Wyckoff, Crystal Structures (Interscience, New York, 1960), Vol. 1, p. 312.
22. M. Weinert and J.W. Davenport, Phys. Rev. B 45, 13 709 (1992).
23. O. Jepsen and K. Andersen, Solid State Commun. 9, 1763 (1971).
24. P.E. Blöchl, O. Jepsen, and K. Andersen, Phys. Rev. B 49, 16 223 (1994).
25. J.R. Chelikoswky and M. Schlüter, Phys. Rev. B 15, 4020 (1977).
26. N. Koumvakalis, J. Appl. Phys. 51, 5528 (1980).