A first-principles study of Mg-related defects in GaN

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We study the energetics of Mg-related defects in GaN through first-principles pseudopotential calculations. In p-type GaN, Mg-Ga(-) accepters are found to be compensated by V-N(+) donors and also deactivated by the formation of complexes such as Mg-Ga-V-N and Mg-i-V-N. We suggest that a Mg-i-V-N complex, which consists of a Mg interstitial and a N-vacancy, is responsible for the blue luminescence observed in heavily Mg-doped GaN. Although this defect complex is easily passivated by three hydrogen atoms, thermal annealing recovers the activity of this complex and thereby increases the intensity of the blue luminescence.
Publisher
TRANSTEC PUBLICATIONS LTD
Issue Date
1997-12
Language
English
Article Type
Article; Proceedings Paper
Keywords

PSEUDOPOTENTIALS; NITRIDE; FILMS

Citation

MATERIALS SCIENCE FORUM, v.258-263, pp.1137 - 1141

ISSN
0255-5476
URI
http://hdl.handle.net/10203/69021
Appears in Collection
PH-Journal Papers(저널논문)
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