AX centers in II-VI semiconductors: Hybrid functional calculations

被引：17

作者：

Biswas, Koushik ^{[1
]}

Du, Mao-Hua ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA

来源：

APPLIED PHYSICS LETTERS | 2011年 / 98卷 / 18期

关键词：

P-TYPE ZNSE; DOPING LIMITS; IMPURITY; FILMS;

D O I：

10.1063/1.3583661

中图分类号：

O59 [应用物理学];

学科分类号：

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 calculations based on local density approximation and generalized gradient approximation. The results agree well with the experimental observations on the p-type doping of ZnS and ZnSe. The improved description of the AX centers by hybrid functional calculations is due to the correction of the valence band maximum of the semiconductor. (C) 2011 American Institute of Physics. [doi:10.1063/1.3583661]

引用

页数：3

共 24 条

[1] IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS [J].