Electronic, elastic, and optical properties of Y 2O 2S

Journal of Applied Physics

Volumn 97, Issue 10, 2005, Pages

  Li, Sa ^a   Ahuja, Rajeev ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

DIELECTRIC FUNCTIONS; ELASTIC PROPERTIES; ELECTRON CHARGE; GENERALIZED GRADIENT APPROXIMATION (GGA);

ANISOTROPY; BAND STRUCTURE; ELASTICITY; ELECTRONIC PROPERTIES; OPTICAL PROPERTIES; PERMITTIVITY; POLYCRYSTALLINE MATERIALS; SINGLE CRYSTALS; SULFUR;

YTTRIUM COMPOUNDS;

EID: 21044447423     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1897838     Document Type: Article

References (30)

1. S. L. Yuan, Y. X. Yang, Z. Z. Xu, and B. Fang, J. Inorganic Materials 19 (3), 523-528 (2004).
2. M. Mikami and A. Oshiyama, Phys. Rev. B 57, 8939 (1998).
3. M. Mikami and A. Oshiyama, J. Lumin. 87-89, 1206 (2000).
4. M. Mikami and S. Nakamura, Phys. Rev. B 65, 094302 (2002).
5. M. Itoh and Y. Inabe, Phys. Rev. B 68, 035107 (2003).
6. G. Czack, H. Hein, I. Hinz, H. Bergmann, and P. Kuhn, in Gmelin Handbook of Inorganic Chemistry, edited by, G. Czack, H. Hein, G. Kirschstein, P. Merlet, and, U. Vetter, (Springer, Berlin, 1983), Chap., p. 560.
7. J. M. Wills and B. R. Cooper, Phys. Rev. B 36, 3809 (1987);
8. D. L. Price and B. R. Cooper, Phys. Rev. ibid. B 39, 4945 (1989).
9. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
10. O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
11. H. L. Skriver, The LMTO Method (Springer, Berlin, 1984).
12. D. J. Chadi and M. L. Cohen, Phys. Rev. B 8, 5747 (1973);
13. S. Froyen, Phys. Rev. B ibid. 39, 3168 (1989).
14. A good description of the calculation of dielectric constants and related properties are found in the thesis by T. Gasche, Uppsala University, 1993.
15. A. R. Edmonds, Angular Momentum in Quantum Mechanics (Princeton University Press, Princeton, 1974), p. 82.
16. -μi|j>)/2.
17. P. Oppeneer, T. Maurer, J. Sticht, and J. Kübler, Phys. Rev. B 45, 10924 (1992).
18. R. Ahuja, S. Auluck, J. M. Wills, M. Alouani, B. Johansson, and O. Eriksson, Phys. Rev. B 55, 4999 (1997).
19. P. Ravindran, L. Fast, P. A. Korzhavyi, B. Johansson, J. Wills, and O. Eriksson, J. Appl. Phys. 84, 9 (1998).
20. W. Voigt, Lehrbuch der Kristallphysik (Taubner, Leipzig, 1928).
21. A. Reuss, Z. Angew. Z. Angew. Math. Mech. 9, 55 (1929).
22. R. Hill, Proc. Phys. Soc. London 65, 350 (1952).
23. O. L. Anderson, J. Phys. Chem. Solids 24, 909 (1963).
24. T. Tomiki, J. Phys. Soc. Jpn. 55, 4543 (1986).
25. Y. N. Xu, Z. Q. Gu, and W. Y. Ching, Phys. Rev. B 56, 14993 (1997).
26. M. Mikami and A. Oshiyama, Phys. Rev. B 60, 1707 (1999).
27. V. I. Anisimov, J. Zaanen, and O. K. Andersen, Phys. Rev. B 44, 943 (1991).
28. P. Mohn, C. Persson, P. Blaha, K. Schwarz, P. Novak, and H. Eschrig, Phys. Rev. Lett. 87, 196401 (2001).
29. V. I. Anisimov, F. Aryasetiawan, and A. I. Lichtenstein, J. Phys.: Condens. Matter 9, 767 (1997).
30. M. Krajcf and J. Hafner, J. Phys.: Condens. Matter 12, 5831 (2000).