Pushing p-type conductivity in ZnO by (Zr, N) codoping: A first-principles study

被引：33
|
作者：
Duan, Xin-Ying [1 ]
Zhao, Yu-Jun [1 ]
Yao, Ruo-He [1 ]
机构：
[1] S China Univ Technol, Dept Phys, Guangzhou 510640, Peoples R China
来源：
SOLID STATE COMMUNICATIONS | 2008年 / 147卷 / 5-6期
关键词：
semiconductors; impurities in semiconductors; electronic band structure;
D O I：
10.1016/j.ssc.2008.05.027
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Zr mono-doped and (Zr, N) co-doped ZnO are investigated by the first-principles calculations. It is found that Zr prefers to substitute Zn site under most growth conditions. The passive (N-Zr-N) complexes create a fully Occupied impurity band above the valence-band maximum (VBM) of ZnO, which helps p-type conductivity by reducing the ionization energy, consistent with a new approach to overcome the doping asymmetry [Y.F. Yan, J.B. Li, S.H. Wei, and M.M. Al-Jassim, Phys. Rev. Lett. 98 (2007) 135506]. In comparison with (Ga, N) co-doping, (Zr, N) is found to be probably better dopants to push p-type conductivity in ZnO through the new approach with easier formation of the passive impurity band. (c) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：194 / 197
页数：4
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