First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO

被引：0

作者：

黄贵洋 ^{[1
]}

王崇愚 ^{[1
]}

王建涛 ^{[2
]}

机构：

[1] Department of Physics,Tsinghua University

[2] Institute of Physics,Chinese Academy of Sciences

来源：

Chinese Physics B | 2010年 / 19卷 / 01期

关键词：

semiconductor; surface diffusion; first-principles calculation;

D O I：

暂无

中图分类号：

O474 [杂质和缺陷];

学科分类号：

070205 ; 080501 ; 0809 ; 080903 ;

摘要：

A detailed first-principles study of the diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO was performed. The O vacancy and interstitial are found to diffuse much more easily in surface than in bulk. The Zn vacancy has a similar migration barrier for both bulk and surface, but has much smaller barrier for the diffuse-in process. The Zn interstitial is difficult to diffuse in the surface directly, but it can diffuse into the bulk relatively easily. Specific values of corresponding migration barriers are obtained.

引用

页码：257 / 261

页数：5