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Doping Issues in Wide Band-Gap Semiconductors

Exeter, United Kingdom
21-23 March 2001
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Poster abstract

60-degree dislocations in GaN and their dissociation

Alexander T. Blumenau

Theoretische Physik, Universität Paderborn, D-33098 Paderborn, Germany, and, School of Physics, University of Exeter, Exeter EX4 4QL, UK

Robert Jones (a), Malcolm I. Heggie (b), Thomas Frauenheim (c)

(a) School of Physics, University of Exeter, Exeter EX4 4QL, UK, (b) CPES, University of Sussex, Falmer, Brighton BN1 9QJ, UK, (c) Theoretische Physik, Universität Paderborn, D-33098 Paderborn, Germany

Dislocations in GaN have influence on its electronic properties. On one hand electrically active point defects might be accumulated at the dislocation core and on the other hand some dislocations introduce deep levels in the gap resulting from either strong distortion or unreconstructed dangling bonds. The undissociated 60-degree dislocation is a good example for the latter. We investigated the atomic and electronic structure of 60-degree dislocations in cubic GaN using self-consistent-charge DFT-based Tight Binding (scc-DFTB) combined with the pseudopotential method AIMPRO. Furthermore, the dissociation of those dislocations into 30- and 90-degree partials is considered.