Theory of Threading Edge and Screw Dislocations in GaN

Abstract

The atomic structures, electrical properties, and line energies for threading screw and threading edge dislocations of wurtzite GaN are calculated within the local-density approximation. Both dislocations are electrically inactive with a band gap free from deep levels. These results are understood to arise from relaxed core structures which are similar to ( $10\overline{1}0$) surfaces.