Chemical trends for acceptor impurities in GaN

被引:94
作者
Neugebauer, J
Van de Walle, CG
机构
[1] Fritz Haber Inst, Abt Theorie, D-14195 Berlin, Germany
[2] Xerox Corp, Palo Alto Res Ctr, Palo Alto, CA 94304 USA
关键词
D O I
10.1063/1.369619
中图分类号
O59 [应用物理学];
学科分类号
摘要
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. (C) 1999 American Institute of Physics. [S0021-8979(99)02305-1].
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页码:3003 / 3005
页数:3
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