First-principles calculation on p-type conduction of (Sb, N) codoping in ZnO

被引：16

作者：

Guo, Tingting ^{[1
,2
]}

Dong, Guobo ^{[1
]}

Chen, Qiang ^{[1
,2
]}

Diao, Xungang ^{[1
]}

Gao, Fangyuan ^{[1
]}

机构：

[1] Beihang Univ, Sch Phys & Nucl Energy Engn, Solar Film Lab, Beijing 100191, Peoples R China

[2] Beihang Univ, Sch Phys & Nucl Energy Engn, Minist Educ, Key Lab Micronano Measurement Manipulat & Phys, Beijing 100191, Peoples R China

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2014年 / 75卷 / 01期

基金：

对外科技合作项目（国际科技项目）;

关键词：

Electronic materials; Ab initio calculations; Crystal structure; Electrical properties; NITROGEN; DEFECTS; FILMS;

D O I：

10.1016/j.jpcs.2013.08.006

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Based on first-principles calculations, (Sb, N) codoped ZnO are investigated. We find that Sb-Zn-4N(O) have lower formation energy and can form p-type conduction with smaller hole effective mass. In comparation to monodoping of Sb, Sb-Zn-4N(O) complex can form better p-type conductivity than Sb-Zn-2V(Zn), which may be strongly compensated by Sb-Zn defect and result in a decrease of p-type conduction. So we inferred that (Sb, N) codoping in ZnO under O-poor condition should be a realizable candidate of p-type conduction. (C) 2013 Elsevier Ltd. All rights reserved.

引用

页码：42 / 47

页数：6

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