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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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