First-principles calculation of electronic structure and magnetic properties of copper adsorbed polar-ZnO surface

被引：1
|
作者：
Kim, Yoon-Suk [1 ]
Chung, Yong-Chae [1 ]
机构：
[1] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea
来源：
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B | 2007年 / 25卷 / 06期
关键词：
D O I：
10.1116/1.2806962
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The electronic structure and magnetic properties of a Cu adsorbed polar-ZnO surface system were investigated using the ab initio projector-augmented-wave method. It is found that the H-3 site is the most stable adsorption site of Cu adsorbed polar-ZnO surfaces with stable ferromagnetism. The Zn-terminated ZnO:Cu surface system (H-3 site adsorption) is predicted to have a half-metallic property and stable ferromagnetism of 0.72 mu(B) magnetic moments. (C) 2007 American Vacuum Society.
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收藏
页码：2616 / 2618
页数：3
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