Structural and electronic factors controlling the refractive indices of the chalcogenides ZnQ and CdQ (Q = O, S, Se, Te)

Inorganic Chemistry

Volumn 44, Issue 10, 2005, Pages 3594-3598

  Rocquefelte, Xavier ^a   Whangbo, Myung Hwan ^b   Jobic, Stéphane ^a  

^a INSTITUT DES MATÉRIAUX JEAN ROUXEL   (France)

^b NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CADMIUM; CHALCOGEN; OXYGEN; SELENIUM; SULFUR; TELLURIUM; ZINC;

ARTICLE; CHEMISTRY; ELECTROCHEMISTRY; THERMODYNAMICS;

CADMIUM; CHALCOGENS; ELECTROCHEMISTRY; OXYGEN; SELENIUM; SULFUR; TELLURIUM; THERMODYNAMICS; ZINC;

EID: 19844382977     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic048352k     Document Type: Article

References (34)

1. Hummel, R. E. Electronic Properties of Materials: Springer-Verlag, Berlin, 2000.
2. Moss, T. S. Phys. Status Solidi B 1985, 131, 415.
3. Jaffe, H. W. Am. Mineral. 1956, 41, 757.
4. Bassani, F.; Pastori Parravicini, G. Electronic States and Optical Transitions in Solids; Ballinger, R. A., Ed.; Pergamon Press: London, 1975.
5. Lynch, W. D. Interband Absorption-Mechanisms and Interpretations. In Handbook of Optical Constants of Solids; Palik, E. D., Ed.; Academic Press: New York, 1985; p 189.
6. (a) French, R. H.; Müllejans, H.; Jones, D. J. J. Am. Ceram. Soc. 1998, 81, 2549.
7. (b) Müllejans, H.; French, R. H. Microsc. Microanal. 2000, 6, 297.
8. Rocquefelte, X.; Goubin, F.; Koo, H.-J.; Whangbo, M.-H.; Jobic, S. Inorg. Chem. 2004, 43, 2246.
9. Rocquefelte, X.; Goubin, F.; Montardi, Y.; Viadere, N.; Demourgues, A.; Tressaud, A.; Whangbo, M.-H.; Jobic, S., Inorg. Chem. 2005, 44, 3589-3593.
10. Reddy, R. R.; Nazeer Ahammed, Y. Infrared Phys. Technol. 1995, 36, 825.
11. (a) Bernard, J. E.; Zunger, A. Phys. Rev. B 1987, 36, 3199.
12. (b) Yeh, C. Y.; Lu, Z. W.; Froyen, S.; Zunger, A. Phys. Rev. B 1992, 46, 10086.
13. (c) Zhang, S. B.; Wei, S. H.; Zunger, A. Phys. Rev. B 1995, 52, 13975.
14. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
15. Blöchl, P. E. Phys. Rev. B 1994, 50, 17953.
16. (a) Blaha, P.; Schwartz, K.; Madsen, G. K. H.; Kvasnicka, D.; Luiz, J. WIEN2k: An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, Technische Universität Wien: Vienna, Austria, 2001.
17. (b) Ambrosch-Draxl, C.; Sofo, J. O. Phys. Rev. B, manuscript submitted.
18. Perdew, J. P.; Burke, S.; Ernenrhof, M. Phys. Rev. Lett. 1996, 77, 3865.
19. Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133.
20. Heaton, R. A.; Harrison, J. G.; Lin, C. C. Phys. Rev. B 1983, 28, 5992.
21. Richter, M. J. Phys. D: Appl. Phys. 1998, 13, 1017.
22. (a) Levine, Z. H. Phys. Rev. Lett. 1989, 63, 1719.
23. (b) Del Sole, R. Phys. Rev. B 1993, 48, 11789.
24. The values of the scissor operator were adjusted to match the EELS data reported in the literature (see ref 20). They are 2.4 eV for W-ZnO, 1.3 eV for W-ZnS and B-ZnSe, 1.0 eV for B-ZnTe, 1.1 eV for B-CdS and B-CdSe, and 0.8 eV for B-CdTe. The same scissor operator was used for the two allotropic phases, justified by the fact that the gap values are nearly the same (see Table 1).
25. Freeouf, J. L. Phys. Rev. B 1973, 7, 3810.
26. Ghahramani, E.; Moss, D. J.; Sipe, J. E. Phys. Rev. B 1991, 43, 9700.
27. Kootstra, F.; de Boeij, P. L.; Snijders, J. G. Phys. Rev. B 2000, 62, 7071.
28. Zakharov, O.; Rubio, A.; Blase, X.; Cohen, M. L.; Louie, S. Phys. Rev. B 1994, 50, 10780.
29. Oshikiri, M.; Aryasetiawan, F. Phys. Rev. B 1999, 60, 10754.
30. Luo, W.; Ismail-Beigi, S.; Cohen, M. L.; Louie, S. Phys. Rev. B 2002, 66, 195215.
31. Tsuchiya, T.; Osaki, S.; Adachi, S. J. Phys.: Condens. Matter 2003, 15, 3717.
32. Ashrafi, A. B. M. A.; Suemune, I.; Kumano, H.; Ok, Y. W.; Seong, T. Y. In Proceedings of the 28th International Symposium on Compound Semiconductors; Arakawa, Y., Hirayama, Y., Kishino, K., Yamaguchi, H., Eds.; Institute of Physics Conference Series 170; Institute of Physics Publishing: Bristol, U.K., 2002; p 307.
33. (a) Adachi, S. Optical Constants of Crystalline and Amorphous Semiconductors - Numerical Data and Graphical Information, Kluwer Academic Publishers: Dordrecht, The Netherlands, 1999.
34. (b) Numerical Data and Functional Relationships in Science and Technology; Hellwege, K. H., Madelung, O., Eds.; Landolt Börnstein, New Series, Group III, Vols. 17a and 22a; Springer: New York, 1982.