In assisted realization of p-type C-doped ZnO: A first-principles study

被引：17
|
作者：
Yao, G. Y. [1 ]
Fan, G. H. [1 ]
Zhao, F. [1 ]
Ma, J. H. [1 ]
Chen, J. [1 ]
Zheng, S. W. [1 ]
Zeng, S. M. [1 ]
He, L. F. [1 ]
Zhang, T. [1 ]
机构：
[1] S China Normal Univ, Inst Optoelect Mat & Technol, Guangzhou 510631, Guangdong, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2012年 / 407卷 / 17期
基金：
中国国家自然科学基金;
关键词：
First-principles; ZnO; Impurities in semiconductors; Electronic structure; THIN-FILMS; CONDUCTION; GA;
D O I：
10.1016/j.physb.2012.05.019
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
C mono-doped and C-In co-doped ZnO are investigated by the first-principles calculations. It is found that the C mono-doped ZnO is p-type with hole carriers locating nearby valence band maximum. Furthermore, a shallower C acceptor energy level appears in the band gap after incorporating In into C-doped ZnO system. Meantime, compared with C mono-doped ZnO, C-In co-doped ZnO has a lower formation energy, correspondingly a higher chemical stability, and thus to enhance the incorporation efficiency of C. These results suggest that C-In co-doping method provided an efficient technique for realizing p-type ZnO. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：3539 / 3542
页数：4
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