Electronic structures and optical properties of wurtzite type LiBSe2 (B=Al, Ga, In): A first-principles study

Journal of Solid State Chemistry

Volumn 181, Issue 9, 2008, Pages 2462-2468

  Li, Long Hua ^a,b   Li, Jun Qian ^c   Wu, Li Ming ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c FUZHOU UNIVERSITY   (China)

Author keywords

Band gap; DFT; Electronic structure; Wurtzite type selenides

Indexed keywords

CHLORINE COMPOUNDS; ELECTRONIC STRUCTURE; OPTICAL PROPERTIES; ZINC SULFIDE;

BAND GAP; DFT; ELECTRONIC STRUCTURES; WURTZITE TYPE; WURTZITE TYPE SELENIDES;

ELECTRONIC PROPERTIES;

EID: 51249111980     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2008.05.047     Document Type: Article

References (25)

1. Kim J.Y., and Hughbanks T. Inorg. Chem. 39 (2000) 3092-3097
2. Isaenko L., Yelisseyev A., Lobanov S., Titov A., Petrov V., Zondy J.J., Krinitsin P., Merkulov A., Vedenyapin V., and Smirnova J. Cryst. Res. Technol. 38 (2003) 379-387
3. Yelisseyev A.P., Drebushchak V.A., Titov A.S., Isaenko L.I., Lobanov S.I., Lyapunov K.M., Gruzdev V.A., Komarov S.G., Petrov V., and Zondy J.J. J. Appl. Phys. 96 (2004) 3659-3665
4. Isaenko L., Yelisseyev A., Lobanov S., Petrov V., Rotermund F., Slekys G., and Zondy J.J. J. Appl. Phys. 91 (2002) 9475-9480
5. Kuriyama K., and Nozaki T. J. Appl. Phys. 52 (1981) 6441-6443
6. Kamijoh T., Nozaki T., and Kuriyama K. J. Appl. Phys. 53 (1982) 761-763
7. Bidault O., Fossier S., Mangin J., Strimer P., Yelisseyev A., Isaenko L., and Lobanov S. Solid State Commun. 121 (2002) 207-211
8. Lawaetz P. Phys. Rev. B 5 (1972) 4039-4045
9. Kamijoh T., and Kuriyama K. J. Appl. Phys. 52 (1981) 1102-1103
10. Gmelin E., and Honle W. Thermochim. Acta 269/270 (1995) 575-590
11. Kuriyama K., Kato T., and Takahashi A. Phys. Rev. B 46 (1992) 15518-15519
12. Petrov V., Yelisseyev A., Isaenko L., Lobanov S., Titov A., and Zondy J.J. Appl. Phys. B: Lasers Opt. 78 (2004) 543-546
13. Isaenko L., Yelisseyev A., Lobanov S., Krinitsin P., Petrov V., and Zondy J.J. J. Non-Cryst. Solids 352 (2006) 2439-2443
14. Beister H.J., Ves S., Honle W., Syassen K., and Kuhn G. Phys. Rev. B 43 (1991) 9635-9642
15. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2k, an augmented plane wave plus local orbitals program for calculating crystal properties,Vienna University of Technology, 2001.
16. Schwarz K., Blaha P., and Madsen G.K.H. Comput. Phys. Commun. 147 (2002) 71-76
17. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865-3868
18. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasnip P.J., Clark S.J., and Payne M.C. J. Phys.: Condens. Matter 11 (2002) 2717-2744
19. Vanderbilt D. Phys. Rev. B 41 (1990) 7892-7895
20. Hamann D.R., Schlüer M., and Chiang C. Phys. Rev. Lett. 43 (1979) 1494-1497
21. Jin H., Zhao G.L., and Bagayoko D. J. Appl. Phys. 101 (2007) 0331231-0331234
22. Laksari S., Chahed A., Abbouni N., Benhelal O., and Abbar B. Comput. Mater. Sci. 38 (2006) 223-230
23. He H.Y., Orlando R., Blanco M.A., Pandey R., Amzallag E., Baraille I., and Rerat M. Phys. Rev. B 74 (2006) 195123(1-8)
24. Hu K.X., and Jones I.P. J. Phys. D: Appl. Phys. 38 (2005) 183-187
25. Christensen N.E., Satpathy S., and Pawlowska Z. Phys. Rev. B 36 (1987) 1032-1050