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Theoretical Investigation Of Extended Defects In Group-III Nitrides

Published online by Cambridge University Press:  10 February 2011

A. F. Wright
A. F. Wright*
Affiliation:
Semiconductor Material and Device Sciences Department, Sandia National Laboratories, Albuquerque, NM 87185-1415, afwrigh@sandia.gov
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Abstract

We have investigated two types of extended defects commonly found in AIN, GaN and InN films using density-functional techniques. First, basal-plane stacking faults have been studied for all three compounds. Stacking-fault energies were found to be largest in AIN and smallest in GaN consistent with density-functional results for their wurtzite/zinc-blende energy differences. In addition, the 4H and 6H structures were found to have lower energies than zinc blende for all three compounds. Second, we have investigated the electronic structure and formation energy for an edge dislocation in AIN. The full-core dislocation structure was found to have a filled electronic level approximately 0.55 eV above the valence-band edge and an empty level 1.4 eV below the conduction-band edge. An open-core structure was found to have filled and empty electronic levels closer to the middle of the energy gap. Formation energies for these two geometries suggest that the full-core structure would be expected to form in p-type material whereas both are expected in n-type material.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 482 , 1997 , 795
Copyright
Copyright © Materials Research Society 1998

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References

1. Sitar, Z., Paisley, M. J., Yan, B., and Davis, R. F., Mat. Res. Soc. Symp. Proc. 162, 537 (1990).Google Scholar
2. Wu, X. H., Brown, L. M., Kapolnek, D., Keller, S., Keller, B., DenBaars, S. P., and Speck, J. S., J. Appl. Phys. 80, 3228 (1996).Google Scholar
3. Xin, Y., Brown, P. D., Humphreys, C. J., Cheng, T. S., and Foxon, C. T., Appl. Phys. Lett. 70, 1308 (1997).Google Scholar
4. Ponce, F. A., Cherns, D., Young, W. T., and Steeds, J. W., Appl. Phys. Lett. 69, 770 (1996).Google Scholar
5. Liliental-Weber, Z., Sohn, H., Newman, N., and Washburn, J., J. Vac. Sci. Technol. B 13, 1578 (1995).Google Scholar
6. Lester, S. D., Ponce, F. A., Craford, M. G., and Steigerwald, D. A., Appl. Phys. Lett. 66, 1249 (1995).Google Scholar
7. Wu, X. H., Kapolnek, D., Tarsa, E. J., Heying, B., Keller, S., , K. B. P., Mishra, U. K., DenBaars, S. P., and Speck, J. S., Appl. Phys. Lett. 68, 1371 (1996).Google Scholar
8. Liliental-Weber, Z., Kisielowski, C., Ruvimov, S., Chen, Y., Washburn, J., Grzegory, I., Bockowski, M., Jun, J., and Porowski, S., J. Elect. Mater. 25, 1545 (1996).Google Scholar
9. Strite, S., Lin, M. E., and Morkoç, H., Thin Solid Films 231, 197 (1993).Google Scholar
10. Hull, D. and Bacon, D. J., Introduction to Dislocations (Pergamon Press, Oxford, 1984), p. 114.Google Scholar
11. Cheng, C., Needs, R. J., and Heine, V., Journal of Physics C: Solid State Physics 21, 1049 (1988).Google Scholar
12. Wright, A. F. and Nelson, J. S., Phys. Rev. B 51, 7866 (1995).Google Scholar
13. Troullier, N. and Martins, J. L., Phys. Rev. B 43, 1993 (1991).Google Scholar
14. Monkhorst, H. J. and Pack, J. D., Phys. Rev. B 13, 5188 (1976).Google Scholar
15. Suzuki, K., Ichihara, M., and Takeuchi, S., Jpn. J. Appl. Phys. 33, 1114 (1994).Google Scholar
16. Delavignette, P., Kirkpatrick, H. B., and Amelinckx, S., J. Appl. Phys. 33, 1098 (1961).Google Scholar
17. Kresse, G. and Hafner, J., Phys. Rev. B 47, 558 (1993); J. Appl. Phys. Phys. Rev. B 49, 14251 (1994); G. Kresse and J. Furthmuller, Compt. Mat. Sci. 6, 15 (1996); ibid. Phys. Rev. B54, 11169 (1996).Google Scholar
18. Laks, D. B., Van De Walle, C. G., Neumark, G. F., Blochl, P. E., and Pantelides, S. T., Phys. Rev. B 45, 10965 (1992).Google Scholar
19. Neugebauer, J. and Van de Walle, C. G., Phys. Rev. B 50, 8067 (1994).Google Scholar
20. Garcia, A. and Northrup, J. E., Phys. Rev. Lett 74, 1131 (1995).Google Scholar