Electronic, dynamical, and dielectric properties of lanthanum oxysulfide

Computational Materials Science

Volumn 37, Issue 3, 2006, Pages 300-305

  Vali, R ^a  

^a DAMGHAN UNIVERSITY   (Iran)

Author keywords

Born effective charge; Density functional theory; Dielectric permittivity; Electronic band structure; La2O2S; Phonon modes

Indexed keywords

BAND STRUCTURE; DIELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; PERMITTIVITY; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

BORN EFFECTIVE CHARGE; DIELECTRIC PERMITTIVITY; ELECTRONIC BAND STRUCTURE; LA2O2S; PHONON MODES;

LANTHANUM COMPOUNDS;

EID: 33746029038     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.08.007     Document Type: Article

References (33)

1. Cavouras D., Kandarakis I., Panayiotakis G.S., Kanellopoulos E., Triantis D., and Nomicos C.D. Appl. Radiat. Isotopes 49 (1998) 931
2. Kaminskii A.A. Laser Crystals (1981), Springer-Verlag, Berlin
3. Kandarakis I., and Cavouras D. Eur. Radiol. 11 (2001) 1083
4. Kandarakis I., Cavouras D., Panayiotakis G., Agelis T., Nomicos C., and Giakoumakis G. Phys. Med. Biol. 41 (1996) 297
5. Sobon L.S., Wickersheim K.A., Buchanan R.A., and Alves R.V. J. Appl. Phys. 42 (1971) 3049
6. Golovin Yu.M., Petrov K.I., and Grizik A.A. J. Appl. Spectrosc. 18 (1973) 62
7. Yokono S., Imagana S., and Hoshina T. J. Phys. Soc. Jpn. 46 (1979) 1882
8. Gonze X., Beuken J.-M., Caracas R., Detraux F., Fuchs M., Rignanese G.-M., Sindic L., Verstraete M., Zerah G., Jollet F., Torrent M., Roy A., Mikami M., Ghosez Ph., Raty J.-Y., and Allan D.C. Comp. Mater. Sci. 25 (2002) 478
9. Kohn W., and Sham L.J. Phys. Rev. 140 (1965) A1133
10. Goedecker S. (SIAM) Soc. Ind. Appl. Math. J. Sci. Stat. Comput. 18 (1997) 1605
11. Payne M.C., Teter M.P., Allan D.C., Arias T.A., and Joannopoulos J.D. Rev. Mod. Phys. 64 (1992) 1045
12. Gonze X. Phys. Rev. B 54 (1996) 4383
13. Baroni S., de Gironcoli S., Dal Corso A., and Giannozzi P. Rev. Mod. Phys. 73 (2001) 515
14. Gonze X. Phys. Rev. B 55 (1997) 10337
15. Gonze X., and Lee C. Phys. Rev. B 55 (1997) 10355
16. Ghosez Ph., and Gonze X. J. Phys. Condes. Mat. 12 (2000) 9179
17. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
18. Ceperley D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566
19. Hartwigsen C., Goedecker S., and Hutter J. Phys. Rev. B 58 (1998) 3641
20. Troullier N., and Martins J.L. Phys. Rev. B 43 (1991) 1993
21. Rohlfing M., Kruger P., and Pollman J. Phys. Rev. Lett. 75 (1995) 3489
22. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
23. Wyckoff R.W.G. Crystal Structures. Interscience 2 (1964)
24. Schlegel J. Comp. Chem. 3 (1982) 214
25. Pauling L. The Nature of the Chemical Bond. third ed. (1960), Cornell University Press, Ithaca
26. Mikami M., and Oshiyama A. Phys. Rev. B 57 (1998) 8939
27. Struck C.W., and Fonger W.H. Phys. Rev. B 4 (1971) 22
28. Vali R., and Hosseini S.M. Comput. Mater. Sci. 31 (2004) 125
29. Harrison W.A. Electronic Structure and the Properties of Solids (1980), W.H. Freeman and Co., San Fransisco
30. Ghosez Ph., Michenaud J.-P., and Gonze X. Phys. Rev. B 58 (1998) 6224
31. Mikami M., Nakamura S., Itoh M., Nakajima K., and Shishido T. Phys. Rev. B 65 (2002) 094302
32. Mikami M., Nakamura S., Itoh M., Nakajima K., and Shishido T. J. Luminescence 102-103 (2003) 7
33. Levine Z.H., and Allan D.C. Phys. Rev. Lett. 63 (1989) 1719