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Theoretical analysis of <0001> tilt grain boundaries in GaN at the atomic scale

Published online by Cambridge University Press:  11 February 2011

Jun Chen ,
Pierre Ruterana  and
Gérard Nouet
Jun Chen
Affiliation:
Laboratoire Universitaire de Recherche Scientifique d'Alençon, Institut Universitaire de Technologie, 61250 Damigny, France.
Pierre Ruterana
Affiliation:
Laboratoire d'Etude et de Recherche sur les Matériaux, FRE 2149 CNRS, Institut des Sciences de la Matière et du Rayonnement, 6 Boulevard du Maréchal Juin, 14050 Caen Cedex, France.
Gérard Nouet
Affiliation:
Laboratoire d'Etude et de Recherche sur les Matériaux, FRE 2149 CNRS, Institut des Sciences de la Matière et du Rayonnement, 6 Boulevard du Maréchal Juin, 14050 Caen Cedex, France.
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Abstract

Epitaxial layers of GaN contain a very high density of threading dislocations. In the first stage of growth they may form low and high angle grain boundaries. Energetic calculations of <0001> tilt grain boundaries have been performed with the Stillinger-Weber potential modified to take into account the wrong bonds Ga-Ga and N-N. The variation of the energy has been calculated as a function of the rotation angle. Two minima exist with special atomic structures based on a limited number of structural units. They are used to describe the other misorientations in terms of dislocation cores.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 743: Symposium L – GaN and Related Alloys , 2002 , L3.44
Copyright
Copyright © Materials Research Society 2003

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