Theory of Threading Edge and Screw Dislocations in GaN

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 t...

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Bibliographic Details
Published in:	Physical review letters Vol. 79; no. 19; pp. 3672 - 3675
Main Authors:	Elsner, J., Jones, R., Sitch, P. K., Porezag, V. D., Elstner, M., Frauenheim, Th, Heggie, M. I., Öberg, S., Briddon, P. R.
Format:	Journal Article
Language:	English
Published:	10-11-1997
Subjects:	Scientific Computing Teknisk-vetenskapliga beräkningar
Online Access:	Get full text
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Summary:	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 (101̅ 0) surfaces.
ISSN:	0031-9007 1079-7114 1079-7114
DOI:	10.1103/PhysRevLett.79.3672