Phys. Rev. B 58, 12571–12574 (1998)Deep acceptors trapped at threading-edge dislocations in GaNReceived 15 June 1998; revised 4 August 1998; published in the issue dated 15 November 1998 Local-density-functional methods are used to examine the behavior of the oxygen defect, gallium vacancy, and related defect complexes trapped at threading-edge dislocations in GaN. These defects are found to be particularly stable at the core of the dislocation where oxygen sits twofold coordinated in a bridge position. VGa-ON is found to be a deep double acceptor, VGa-(ON)2 is a deep single acceptor, and VGa-(ON)3 at the dislocation core is electrically inactive. We suggest that the first two defects are responsible for a deep acceptor level associated with the midgap yellow luminescence band. © 1998 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.58.12571
DOI:
10.1103/PhysRevB.58.12571
PACS:
73.20.Dx
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