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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.

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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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