Theory of Threading Edge and Screw Dislocations in GaN

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Elsner, J ; Jones, R ; Sitch, P K ; Porezag, V D ; Elstner, M ; Frauenheim, Th ; Heggie, M I ; Oberg, S ; Briddon, P R (1997)
  • Publisher: Physical Review Letters
  • Subject:
    arxiv: Condensed Matter::Materials Science

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.
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    4 sN43coord.d *On leave from Technische Universit├Ąt Chemnitz.

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