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Structural Units and Energy of Grain Boundaries in GaN

Published online by Cambridge University Press:  01 February 2011

Jun Chen
Affiliation:
Laboratoire Structure des Interfaces et Fonctionnalité des Couches Minces, UMR CNRS 6176, ENSICAEN, 6 Boulevard du Maréchal Juin 14050 Caen Cedex, France
Pierre Ruterana
Affiliation:
Laboratoire Structure des Interfaces et Fonctionnalité des Couches Minces, UMR CNRS 6176, ENSICAEN, 6 Boulevard du Maréchal Juin 14050 Caen Cedex, France
Gerard Nouet
Affiliation:
Laboratoire Structure des Interfaces et Fonctionnalité des Couches Minces, UMR CNRS 6176, ENSICAEN, 6 Boulevard du Maréchal Juin 14050 Caen Cedex, France
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Abstract

The energy of coincidence grain boundaries in wurtzite structure was investigated with the Stillinger-Weber potential after modification for GaN. A boundary can have two interfaces with a different period corresponding to the edge and diagonal of the unit cell of coincidence site lattices for rotations around [0001] in the range 0–60°. Their energy depends mainly on the atomic structure of the dislocation cores used for the boundary plane reconstruction. As a function of the structure units in the period, the energy of the edge and diagonal shows two minima which are observed for the edge boundaries.

Type
Research Article
Copyright
Copyright © Materials Research Society 2004

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References

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