posted on 2023-06-07, 20:29authored byJ Elsner, R Jones, P K Sitch, V D Porezag, M Elstner, Th Frauenheim, M I Heggie, S Oberg, P R Briddon
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 (1010) surfaces.