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Theoretical Study of Native Point Defects in Aln and InN

Published online by Cambridge University Press:  10 February 2011

C. Stampfl  and
Chris G. Van De Walle
C. Stampfl
Affiliation:
Xerox PARC, 3333 Coyote Hill Road, Palo Alto, CA 94304
Chris G. Van De Walle
Affiliation:
Xerox PARC, 3333 Coyote Hill Road, Palo Alto, CA 94304
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Abstract

We have studied native point defects in AlN and InN using density-functional calculations employing both the local-density and generalized gradient approximations for the exchange-correlation functional. For both materials we find that the nitrogen vacancy acts as a compensating center in p-type material. For AIN in the zinc-blende structure, the aluminum interstitial has an equally low formation energy as the nitrogen vacancy. For n-type material the aluminum vacancy is the dominant compensating center in AlN. For n-type InN, all defect formation energies are high.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 482 , 1997 , 905
Copyright
Copyright © Materials Research Society 1998

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References

1. Morkoç, H., Strite, S., Gao, G. B., Lin, M. E., Sverdlov, B., and Burns, M., J. Appl. Phys. 76,1363 (1994).Google Scholar
2. Ponce, F. A. and Bour, D. P., Nature 386, 351 (1997), and references therein.Google Scholar
3. Nakamura, S., Solid State Commun. 102, 237 (1997), and references therein.Google Scholar
4. Neugebauer, J. and Van de Walle, C. G., Phys. Rev. B 50, 8067 (1994).Google Scholar
5. Boguslawski, P., Briggs, E. L., and Bernholc, J., Phys. Rev. B 51, 17255 (1995).Google Scholar
6. Ceperley, D. M. and Alder, B. I., Phys. Rev. Lett. 45, 556 (1980); P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).Google Scholar
7. Perdew, J. P., Chevay, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., and Fiolhais, C., Phys. Rev. B 46, 6671 (1992).Google Scholar
8. Bockstedte, M., Kley, A., Neugebauer, J., and Schefiler, M., Comp. Phys. Commun., to be published.Google Scholar
9. Troullier, N. and Martins, J. L., Phys. Rev. B 43, 1993 (1991).Google Scholar
10. Fuchs, M. and Scheffler, M., to be published.Google Scholar
11. Louie, S. G., Froyen, S., and Cohen, M. L., Phys. Rev. B 26, 1738 (1982).Google Scholar
12. Rubio, A., Corkhill, J. L., Cohen, M. L., Shirley, E., and Louie, S. G., Phys. Rev. B 48, 11810 (1993).Google Scholar
13. Bremser, M. D., Perry, W. G., Zheleva, T., Edwards, N. V., Nam, O. H., Parikh, N., Aspnes, D. E., and Davis, R. F., MRS Internet J. Nitride Semicond. Res. 1, 8 (1996).Google Scholar
14. Lee, H. G., Gershenzon, M., and Goldenberg, B. L., J. Elec. Mat. 20, 621 (1991).Google Scholar
15. Zhang, X., Kung, P., Saxler, A., Walker, D., Wang, T. C., and Razeghi, M., Appl. Phys. Lett. 67, 1745 (1995).Google Scholar
16. Van de Walle, C. G., Phys. Rev. B (in press).Google Scholar
17. Mattila, T., Seitsonen, A. P., and Nieminen, R. M., Phys. Rev. B 54, 1474 (1996).Google Scholar
18. Philipsen, P. H. T., Velde, G. te, and Baerands, E. J., Chem. Phys. Lett. 226, 583 (1994).Google Scholar
19. Hammer, B., Jacobsen, K. W., and Norskov, J. K., Phys. Rev. Lett. 70, 3971 (1993).Google Scholar
20. Porezag, D. and Pederson, M. R., J. Chem. Phys. 102, 9345 (1995).Google Scholar
21. Dufek, P., Blaha, P., Sliwko, V., and Schwarz, K., Phys. Rev. B 49, 10170 (1994).Google Scholar
22. Al, Bulk from Kittel, C., Introduction to Solid State Physics, 6th ed. (Wiley, New York, 1986); N2 from A. D. Becke in Density Functional Theories in Quantum Chemistry; Cohesive energies of AIN, GaN, and InN from B. Paulus et at., J. Phys: Condens. Mat. 9, 2745 (1997). Lattice constants from Properties of Group III-Nitrides, edited by J. H.Edgar, EMIS Datareviews Series (London, 1994). Bulk moduli from M. E. Sherwin et al., J. Appl. Phys. 69, 8423 (1991), calculated from a transformation of the wurtzite elastic constants.Google Scholar