AX centers in II-VI semiconductors: Hybrid functional calculations

作者: Koushik Biswas , Mao-Hua Du

DOI: 10.1063/1.3583661

关键词:

摘要: Hybrid functional calculations predict significantly enhanced stability of AX centers against shallow acceptors in selected II-VI semiconductors (ZnO, ZnS, and ZnSe), as compared to the based on local density approximation generalized gradient approximation. The results agree well with experimental observations p-type doping ZnS ZnSe. improved description by hybrid is due correction valence band maximum semiconductor.

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