First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface
文献类型：期刊论文
| 作者 | Z. G. Wang ; X. T. Zu |
| 刊名 | Surface Review and Letters
 |
| 出版日期 | 2006 |
| 卷号 | 13期号:4页码:365-368 |
| 关键词 | first principles Ba Si(001) surface adsorption x-1 surface exchange phase leed wave |
| ISSN号 | 0218-625X |
| 中文摘要 | Adsorption and diffusion of a Ba adatom on a reconstructed Si(001) surface were studied using first principles density functional calculation. It was found that the lowest energetic configuration is that the Ba atom resides at the T3' (which is displaced along the [(1) over bar 10] direction from the T3 site by similar to 0.26 angstrom). An anisotropic diffusivity of Ba on the reconstructed surface was found. The preferred direction of diffusion was the trough between Si dimer rows. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/34544]  |
| 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 | Z. G. Wang,X. T. Zu. First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface[J]. Surface Review and Letters,2006,13(4):365-368. |
| APA | Z. G. Wang,&X. T. Zu.(2006).First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface.Surface Review and Letters,13(4),365-368. |
| MLA | Z. G. Wang,et al."First principles calculations of adsorption and diffusion of Ba on a reconstructed Si(001) surface".Surface Review and Letters 13.4(2006):365-368. |
入库方式： OAI收割
来源：金属研究所
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