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Native Defects in Wurtzite GaN And AlN

Published online by Cambridge University Press:  21 February 2011

P. Boguslawski ,
E. Briggs ,
T. A. White ,
M. G. Wensell  and
J. Bernholc
P. Boguslawski
Affiliation:
North Carolina State University, Raleigh, NC 27695–8202
E. Briggs
Affiliation:
North Carolina State University, Raleigh, NC 27695–8202
T. A. White
Affiliation:
North Carolina State University, Raleigh, NC 27695–8202
M. G. Wensell
Affiliation:
North Carolina State University, Raleigh, NC 27695–8202
J. Bernholc
Affiliation:
North Carolina State University, Raleigh, NC 27695–8202
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Abstract

The results of an extensive theoretical study of native defects in GaN and of vacancies in AlN are presented. We have considered cation and anion vacancies, antisites, and intersti-tials. The computations were carried out using quantum molecular dynamics, in supercells containing 72 atoms. Due to the wide gap of nitrides, the formation energies of defects depend strongly on the position of the Fermi level. The N vacancy in GaN introduces a shallow donor level that may be responsible for the n-type character of as-grown GaN.Other defects introduce deep states in the gap, with strongly localized wave functions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 339: Symposium D – Diamond, Silicon Carbide and Nitride Wide Bandgap Semiconductors , 1994 , 693
Copyright
Copyright © Materials Research Society 1994

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