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Extended Defects in GaN: a Theoretical Study

Published online by Cambridge University Press:  15 February 2011

J. Eisner ,
Th. Frauenheim ,
M. Haugk ,
R. Gutierrez ,
R. Jones  and
M. I. Heggie
J. Eisner
Affiliation:
Fachbereich Physik, Universität GH Paderborn, D-33098 Paderborn
Th. Frauenheim
Affiliation:
Fachbereich Physik, Universität GH Paderborn, D-33098 Paderborn
M. Haugk
Affiliation:
Fachbereich Physik, Universität GH Paderborn, D-33098 Paderborn
R. Gutierrez
Affiliation:
Fachbereich Physik, Universität GH Paderborn, D-33098 Paderborn
R. Jones
Affiliation:
Department of Physics, University of Exeter, Exeter, EX4 4QL, UK
M. I. Heggie
Affiliation:
CPES, University of Sussex, Falmer, Brighton, BNI 9QJ, UK
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Abstract

We present density-functional theory studies for a variety of surfaces and extended defects in GaN. According to previous theoretical studies {1010} type surfaces are electrically inactive. They play an important role in GaN since similar configurations occur at open-core screw dislocations and nanopipes as well as at the core of threading edge dislocations. Domain boundaries are found to consist of four-fold coordinated atoms and are also found to be electrically inactive. Thus, except for full-core screw dislocations which possess heavily strained bonds all investigated extended defects do not induce deep states into the band-gap. However, electrically active impurities in particular gallium vacancies and oxygen related defect complexes are found to be trapped at the stress field of the extended defects.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 537: Symposium G – GaN and Related Alloys , 1998 , G3.29
Copyright
Copyright © Materials Research Society 1999

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