First-principles study of Sb adsorption on Ag(110)(2 x 2)
文献类型：期刊论文
| 作者 | J. L. Nie ; H. Y. Xiao ; X. T. Zu ; F. Gao |
| 刊名 | Chemical Physics
 |
| 出版日期 | 2006 |
| 卷号 | 326期号:2-3页码:583-588 |
| 关键词 | density functional theory silver antimony substitutional energy-electron-diffraction by-layer growth homoepitaxial growth ion-scattering surface ag(111) ag diffusion cu(111) pseudopotentials |
| ISSN号 | 0301-0104 |
| 中文摘要 | The adsorption of antimony atom on the Ag(110) surface has been studied within the density functional theory framework. It was turned out that Sb-Ag surface alloy was formed in which Sb atoms substitute Ag atom in the outermost layer and subsurface site absorption was not preferred, suggesting that Sb is well segregated to the surface. Geometric analysis showed that rumpling between substitutional Sb and Ag in the alloy surface is negligible. These results are found to agree well with the experimental finding of Nascimento et al. [Surf. Sci. 572 (2004) 337]. In addition, investigation of the diffusion of Ag atom on bare and Sb-covered Ag(110) surface showed that Ag adatoms will jump along the so call in-channel direction and Sb substitution has little effect on the diffusion of Ag adatoms on Ag(110) surface. Such diffusion behavior was found to be different from that of Ag adatoms on Ag(I 11) surface, where the diffusion energy barrier was reported to be significantly increased upon Sb substitution [Phys. Rev. Lett. 73 (1993) 2437]. (c) 2006 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/321006/34410]  |
| 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 | J. L. Nie,H. Y. Xiao,X. T. Zu,et al. First-principles study of Sb adsorption on Ag(110)(2 x 2)[J]. Chemical Physics,2006,326(2-3):583-588. |
| APA | J. L. Nie,H. Y. Xiao,X. T. Zu,&F. Gao.(2006).First-principles study of Sb adsorption on Ag(110)(2 x 2).Chemical Physics,326(2-3),583-588. |
| MLA | J. L. Nie,et al."First-principles study of Sb adsorption on Ag(110)(2 x 2)".Chemical Physics 326.2-3(2006):583-588. |
入库方式： OAI收割
来源：金属研究所
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