Ab-initio study on adsorption and diffusion of Au atoms on clean Si(001) and H-Si(001) surface

被引：2
|
作者：
Ju, Weiwei [1 ]
Li, Tongwei [1 ]
You, Jinghan [1 ]
Tang, Zhengxin [1 ]
Gong, Xiaoyang [1 ]
Wang, Hui [1 ]
Zhen, Zhiqiang [1 ]
Zhang, Qingguo [1 ]
机构：
[1] Henan Univ Sci & Technol, Sch Sci, Luoyang 471003, Peoples R China
来源：
HIGH-PERFORMANCE CERAMICS V, PTS 1 AND 2 | 2008年 / 368-372卷
关键词：
ab-initio; Si(001); adsorption; diffusion;
D O I：
10.4028/www.scientific.net/KEM.368-372.1699
中图分类号：
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
Performing ab-initio total-energy calculations to investigate the adsorption and diffusion processes of the An atoms with both the clean Si(001)-(1x1) and H-terminated Si(001)-(2x1) surfaces. It was found that, on the clean Si(001)-(1x1) surface, the most stable adsorption sites for Au atoms are middle part of four Si atoms, while on H-terminated Si(001)-(2x1) surface, the most stable sites are the middle part of a Si-Si dimer. The result showed that surface hydrogenation make most stable site transfer and affect the adsorption of An on Si(001) surface.
引用
收藏
页码：1699 / 1701
页数：3
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