Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface
文献类型：期刊论文
| 作者 | H. Y. Xiao ; X. T. Zu ; Y. F. Zhang ; F. Gao |
| 刊名 | Chemical Physics
 |
| 出版日期 | 2006 |
| 卷号 | 323期号:2-3页码:383-390 |
| 关键词 | first-principles calculations rubidium adsorption silicon adsorbed si(100) surfaces angle-resolved photoemission potassium double-layer x-ray-diffraction photoelectron-spectroscopy 2x1-k surface cs si(001)-(2x1) overlayer cesium |
| ISSN号 | 0301-0104 |
| 中文摘要 | First-principles calculations based on DFT-GGA method have been performed on rubidium adsorption on Si(001)(2 x 1) surface. The atomic and electronic structures of Si(001)(2 x 1)-Rb have been calculated and compared with those of Cs adsorption [H.Y. Xiao, X.T. Zu, Y.F. Zhang, L. Yang, J. Chem. Phys. 122 (2005) 174704]. It turns out that the saturation coverage of Rb is one monolayer rather than half a monolayer, similar to that of Cs adsorption. Comparison of Rb on Si(001)(2 x 1) with Cs adsorption showed that at saturation coverage larger alkali metal (AM) atom leads to stronger AM-AM interaction and weaker AM-Si interaction. However, for low coverage of 0.25 and 0.5 ML the Rb-Si interaction is surprisingly weaker than Cs-Si interaction. Further detailed analysis suggested that this is a consequence of depolarization effect with decreasing AM size below I ML coverage. For the saturation coverage, the dispersion curves show that the surface is of semi-conducting character. This result does not support the direct and inverse angle-resolved photoemission investigation where a metallization is observed at saturation coverage. (c) 2005 Elsevier B.V. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34597]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | H. Y. Xiao,X. T. Zu,Y. F. Zhang,et al. Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface[J]. Chemical Physics,2006,323(2-3):383-390. |
| APA | H. Y. Xiao,X. T. Zu,Y. F. Zhang,&F. Gao.(2006).Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface.Chemical Physics,323(2-3),383-390. |
| MLA | H. Y. Xiao,et al."Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface".Chemical Physics 323.2-3(2006):383-390. |
入库方式： OAI收割
来源：金属研究所
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