Structural properties of oxygen on InN(0001) surface

被引：11

作者：

Dai, Xian-Qi ^{[1
]}

Wang, Jian-Li

Yan, Hui-Juan

Wu, Xin-Hua

Xie, M. H.

机构：

[1] Henan Normal Univ, Dept Phys, Xinxiang 453007, Henan, Peoples R China

[2] Zhengzhou Teachers Coll, Dept Phys, Zhengzhou 450044, Henan, Peoples R China

[3] Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China

来源：

SURFACE SCIENCE | 2007年 / 601卷 / 10期

基金：

中国国家自然科学基金;

关键词：

first-principles; surface reconstruction; oxygen adsorption; InN;

D O I：

10.1016/j.susc.2007.03.009

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

First-principles calculations are performed to study the various structures of oxygen (O) adsorbed on InN(0001) surfaces. It is found that the formation energy of O on InN(0001) decreases with decreasing oxygen coverage. Of all the adsorbate induced surface structures examined, the structure of InN(0 0 0 1)-(2 x 2) as caused by O adsorption at the H-3 sites with 0.25 monolayers coverage is most energetically favorable. Meanwhile, nitrogen (N) vacancy can form spontaneously. Oxygen atoms may also substitute N atoms, or accumulate at the voids inside InN film or simply stay on the surface during growth. The oxygen impurity then acts as a potential source for the n-type conductivity of InN as well as the large energy band gap measured. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：2161 / 2165

页数：5

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