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APS » Journals » Phys. Rev. Lett. » Volume 79 » Issue 19
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Phys. Rev. Lett. 79, 3672–3675 (1997)

Theory of Threading Edge and Screw Dislocations in GaN

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J. Elsner and R. Jones
Department of Physics, University of Exeter, Exeter, EX4 4QL, United Kingdom

P. K. Sitch, V. D. Porezag, M. Elstner, and Th. Frauenheim
Technische Universität, Theoretische Physik III, D-09107 Chemnitz, Germany

M. I. Heggie
CPES, University of Sussex, Falmer, Brighton, BN1 9QJ, United Kingdom

S. Öberg
Department of Mathematics, University of Luleå, Luleå, S97 187, Sweden

P. R. Briddon
Department of Physics, University of Newcastle upon Tyne, Newcastle, NE1 7RU, United Kingdom

Received 8 July 1997; published in the issue dated 10 November 1997

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.

© 1997 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.79.3672
DOI:
10.1103/PhysRevLett.79.3672
PACS:
61.72.Bb, 61.72.Lk
 
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