Chemical trends for acceptor impurities in GaN
نویسندگان
چکیده
We present a comprehensive investigation of acceptor impurities in GaN, based on first-principles total-energy calculations. Two main factors are identified that determine acceptor incorporation: the strength of chemical bonding between the acceptor and its neighbors ~which can be assessed by comparison with existing compounds! and the atomic size match between the acceptor and the host atom for which it substitutes. None of the candidates ~Li, Na, K, Be, Zn, and Ca! exhibits characteristics which surpass those of Mg in all respects. Only Be emerges as a potential alternative dopant, although it may suffer from compensation by Be interstitial donors. © 1999 American Institute of Physics. @S0021-8979~99!02305-1#
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