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A Comparison of the Wurtzite and Zincblende Band Structures for SiC, AlN and GaN

Published online by Cambridge University Press:  25 February 2011

W. R. L. Lambrecht
Affiliation:
Department; of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
B. Segall
Affiliation:
Department; of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
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Abstract

Total energy and band structure results of linear-muffin-tin orbital calculations within the atoiuic-spliere-approxiiuation are presented for SiC, GaN and A1N in the zincblende and the wurtzite structure. We discuss the origin of the directness or indirectness and the relative magnitudes of the band gaps.

Type
Research Article
Copyright
Copyright © Materials Research Society 1992

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References

REFERENCES

1. Seifert, W. and Tempel, A., Phys. Status Solidi (a) 23, K39 (1974).Google Scholar
2. Schwabe, D. and Mader, W., in Proceedings of the European Conference on Advanced Materials and Processes (EUROMAT), Aachen, Germany, Nov. 22–24, 1989.Google Scholar
3. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964);Google Scholar
Kolm, W. and Sham, L. J., Phys. Rev. 140, A1133 (1965).Google Scholar
4. von Barth, U. and Hedin, L., J. Phys. C 5, 1629 (1972).Google Scholar
5. Andersen, O. K., Phys. Rev. B 12, 3060 (1975);Google Scholar
Andersen, O. K., Jepsen, O., and Sob, M., in Electronic Band Structure and its Applications, edited by Yussouff, M., (Springer, Heidelberg, 1987).Google Scholar
6. Rose, J. H., Smith, J. and Ferrante, J., Phys. Rev. B 28, 1835 (1983).CrossRefGoogle Scholar
7. Wyckoff, R. W. G., Crystal Structures, Second Edition, (Interscience Publishers, New York 1964), Vol. 1.Google Scholar
8. CRC Handbook of Chemistry and Physics, edited by Weast, R. C., (CRC Press, Inc., Boca Raton, FL 1988), 68th Edition.Google Scholar
9. Carnahan, R. D., J. Am. Ceram. Soc. 42, 254 (1959).Google Scholar
10. Wettling, W. and Windscheif, J., Solid. State Commun. 50, 33 (1984).Google Scholar
11. Gerlich, D., Dole, S. L. and Slack, G. A., J. Phys. Chem. Solids 47, 437 (1986).CrossRefGoogle Scholar
12. Methfessel, M., Phys. Rev. B 38, 1537 (1988);CrossRefGoogle Scholar
Methfessel, M., Rodriguez, C. O., and Andersen, O. K., Phys. Rev. B 40, 2009 (1989).CrossRefGoogle Scholar
13. Lambrecht, W. R. L., Segali, B., Methfessel, M., and van Schilfgaarde, M., Phys. Rev. B 44, 3685(1991).Google Scholar
14. Cheng, C., Needs, R. J., and Heine, V., J. Phys. C 21, 1049 (1988).Google Scholar
15. Munoz, A. and Kunc, K., Phys. Rev. B 44, 10372 (1991).Google Scholar
16. Salehpour, M. R. and Satpathy, S., Phys. Rev. B 41, 3048 (1990).CrossRefGoogle Scholar
17. Numerical Data and Functional Relationships in Science and Technology, edited by Madelung, O., Landolt-Börnstein, , New Series, Group HI, Vol. 17a (Springer, Berlin, 1982).Google Scholar
18. Hemstreet, L. A. and Fong, C. Y., in Silicon Carbide - 1973, edited by Marshall, R. C., Faust, J. W., Ryan, C. Y., (University of South Carolina Press, Columbia, SC 1974), p. 284.Google Scholar
19. Bloom, S., Harbeke, G., Meier, E., and Ortenburger, I. B., Phys. Statuts Solidi (a) 66, 161 (1974).Google Scholar
20. Ching, W. Y. and Harmon, B. N., Phys. Rev. B 34, 5305 (1986).CrossRefGoogle Scholar
21. Bechstedt, F. and del Sole, R., Phys. Rev. B 38, 7710 (1988).Google Scholar
22. Hedin, L., Phys. Rev. 139, A796, (1965).CrossRefGoogle Scholar