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Theory of Point Defects and Interfaces

Published online by Cambridge University Press:  10 February 2011

Chris G Van de Walle  and
Jörg Neugebauer
Chris G Van de Walle
Affiliation:
Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94304; [email protected]
Jörg Neugebauer
Affiliation:
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Abt. Theorie, Faradayweg 4-6, D-14195 Berlin, Germany
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Abstract

First-principles theoretical results can predict and explain a variety of materials properties of the nitride semiconductors. For n-type GaN, we summarize the current understanding about incorporation of unintentional donor impurities, as opposed to nitrogen vacancies. For p-type GaN, we discuss the cause of the limited doping levels, and the role of hydrogen. We describe the role of gallium vacancies in the yellow luminescence, and the interaction between these vacancies and donor impurities. Finally, we discuss our first-principles investigations of the atomic and electronic structure of heterojunction interfaces between the III-nitrides, and provide values for natural band lineups.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 449: Symposium N – III-V Nitrides , 1996 , 861
Copyright
Copyright © Materials Research Society 1997

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References

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