期刊
EPL
卷 114, 期 3, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1209/0295-5075/114/36001
关键词
-
资金
- National Nature Science Foundation of China [21373156, 11404253]
- Natural Science Foundation of Shanxi Province [2013JM1020]
- Postdoctoral Science Foundation of Shannxi province [18420083]
The low-formation energy structure of anion interstitial defect in zinc-blende materials is usually identified as the tetrahedron central structure where the anion interstitial atom is surrounded by four countercation atoms. A line-type anion interstitial defect structure AD(i)(l), however, is found to be lower in energy than the tetrahedron central anion interstitial defect structure by first-principles calculations. By analyzing the structural and electronical characters of this line-type defect in relative compounds of zinc-blende materials, we attribute this to the electronegativity shift trends and the bond forming, which lead to the hybridization types varying from sp(3) to sp-like and ending at sp. Copyright (C) EPLA, 2016
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据