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Structural and Electronic Properties of Line Defects in GaN

Published online by Cambridge University Press:  03 September 2012

Joachim Elsner ,
Alexander Th. Blumenau ,
Thomas Frauenheim ,
Robert Jones  and
Malcolm I. Heggie
Joachim Elsner
Affiliation:
Fachbereich Physik, Universität Paderborn, D-33095 Paderborn, Germany Semiconductor Physics Group, University of Exeter, Exeter, EX4 4QL, UK
Alexander Th. Blumenau
Affiliation:
Fachbereich Physik, Universität Paderborn, D-33095 Paderborn, Germany Semiconductor Physics Group, University of Exeter, Exeter, EX4 4QL, UK
Thomas Frauenheim
Affiliation:
Fachbereich Physik, Universität Paderborn, D-33095 Paderborn, Germany
Robert Jones
Affiliation:
Semiconductor Physics Group, University of Exeter, Exeter, EX4 4QL, UK
Malcolm I. Heggie
Affiliation:
CPES, University of Sussex, Falmer, Brighton, BN1 9QJ, UK
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Abstract

We present density-functional theory based studies for several types of line defects in both hexagonal and cubic GaN. {10-10} type surfaces play an important role in hexagonal GaN since similar configurations occur at open-core screw dislocations and nanopipes as well as at the core of threading edge dislocations. Except for full-core screw dislocations which possess heavily strained bonds all investigated stoichiometric extended defects in hexagonal GaN do not induce deep acceptor states in the band-gap and thus cannot be responsible for the yellow luminescence. However, electrically active point defects in particular gallium vacancies and oxygen related defect complexes are found to be trapped at the stress field of the dislocations. Preliminary calculations for cubic GaN find the ideal stoichiometric 60°-dislocations to be electrically active. As in hexagonal material, vacancies and impurities like oxygen are likely to be trapped at the dislocation core.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 595: Symposium W – GaN and Related Alloys - 1999 , 1999 , F99W9.3
Copyright
Copyright © Materials Research Society 1999

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