Zhang SB, Wei S, Zunger A
National Renewable Energy Laboratory, Golden, Colorado 80401, USA.
Phys Rev Lett. 2000 Feb 7;84(6):1232-5. doi: 10.1103/PhysRevLett.84.1232.
The highest equilibrium free-carrier doping concentration possible in a given material is limited by the "pinning energy" which shows a remarkable universal alignment in each class of semiconductors. Our first-principles total energy calculations reveal that equilibrium n-type doping is ultimately limited by the spontaneous formation of close-shell acceptor defects: the (3-)-charged cation vacancy in AlN, GaN, InP, and GaAs and the (1-)-charged DX center in AlAs, AlP, and GaP. This explains the alignment of the pinning energies and predicts the maximum equilibrium doping levels in different materials.
给定材料中可能达到的最高平衡自由载流子掺杂浓度受“钉扎能”限制，钉扎能在每类半导体中呈现出显著的普遍一致性。我们的第一性原理总能量计算表明，平衡n型掺杂最终受闭壳层受主缺陷自发形成的限制：AlN、GaN、InP和GaAs中的带(3 -)电荷的阳离子空位，以及AlAs、AlP和GaP中的带(1 -)电荷的DX中心。这解释了钉扎能的一致性，并预测了不同材料中的最大平衡掺杂水平。
