Paper Title:
Ab-Initio Study on Adsorption and Diffusion of Au Atoms on Clean Si(001) and H-Si(001) Surface
| Periodical | Key Engineering Materials (Volumes 368 - 372) |
|---|---|
| Main Theme | High-Performance Ceramics V |
| Edited by | Wei Pan and Jianghong Gong |
| Pages | 1699-1701 |
| DOI | 10.4028/www.scientific.net/KEM.368-372.1699 |
| Citation | Wei Wei Ju et al., 2008, Key Engineering Materials, 368-372, 1699 |
| Online since | February, 2008 |
| Authors | Wei Wei Ju, Tong Wei Li, Jing Han You, Zheng Xin Tang, Xiao Yang Gong, Hui Wang, Zhi Qiang Zhen, Qing Guo Zhang |
| Keywords | Ab Initio, Adsorption, Diffusion, Si (001) |
| Price | US$ 28,- |
View full size
Abstract
Performing ab-initio total-energy calculations to investigate the adsorption and diffusion processes of the Au atoms with both the clean Si(001)-(1×1) and H-terminated Si(001)-(2×1) surfaces. It was found that, on the clean Si(001)-(1×1) surface, the most stable adsorption sites for Au atoms are middle part of four Si atoms, while on H-terminated Si(001)-(2×1) 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 Au on Si(001) surface.
