EVOLUTION OF ALLOY PROPERTIES WITH LONG-RANGE ORDER

被引:83
作者
LAKS, DB [1 ]
WEI, SH [1 ]
ZUNGER, A [1 ]
机构
[1] NATL RENEWABLE ENERGY LAB,GOLDEN,CO 80401
关键词
D O I
10.1103/PhysRevLett.69.3766
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a general theory of compounds with partial long-range order. We derive a simple formula that determines the properties of a partially ordered compound from those of the perfectly random alloy and the fully ordered compound. The formula makes accurate predictions of both formation energies and electronic band structures. We also use the formula to predict the band gaps of Al1-xGaxAs/GaAs superlattices.
引用
收藏
页码:3766 / 3769
页数:4
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