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Doping Issues in Wide Band-Gap SemiconductorsExeter, United Kingdom21-23 March 2001 |
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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.