Band Structure and Stability of Ternary Semiconductor Polytypes

被引:1
作者
Wei, Su-Huai [1 ]
Zhang, Shengbai [1 ]
Zunger, Alex [1 ]
机构
[1] Natl Renewable Energy Lab, Golden, CO 80401 USA
关键词
band structure; total energy; semiconductor polytypes;
D O I
10.7567/JJAPS.39S1.237
中图分类号
O59 [应用物理学];
学科分类号
摘要
We have developed a first-principles generalized one dimensional Ising model to study the band structures and stabilities of two types of ternary zinc-blende-based polytype series: type-a GaInP2 and type-b CuInSe2. We predict that the Cu Au-like phase can coexist in nominally chalcopyrite CuInSe2. We also predict that type-II band alignment can exist between different ordered type-a GaInP2 polytypes.
引用
收藏
页码:237 / 238
页数:2
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