Adsorption of Ag on Si(100) surface

被引：12
作者：
Wei, Shu-yi [1 ]
Li, Wei [1 ]
Zhang, Fang [1 ]
Zhao, Xu [1 ]
机构：
[1] Henan Normal Univ, Coll Phys & Informat Engn, Xinxiang 453007, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2007年 / 390卷 / 1-2期
基金：
中国国家自然科学基金;
关键词：
chemisorption; silver; silicon; low-index single-crystal surface; supercell;
D O I：
10.1016/j.physb.2006.08.028
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The chemisorption of one monolayer Ag atoms on an ideal Si(100) surface is studied by using the self-consistent tight-binding linear muffin-tin orbital method. The adsorption energies (E-ad) of different sites are calculated. It is found that the adsorbed Ag atoms are more favorable on C site (fourfold site) than on any other sites on Si(100) surface, the polar covalent bond is formed between Ag atom and surface Si atom, a Ag and Si mixed layer does not exist and does form an abrupt interface at the Ag-Si(100) interface. This is in agreement with the experiment results. The layer-projected density of states is calculated and compared with that of the clean surface. The charge transfer is also investigated. Comparing with the Au/Si(100) system, the interaction is weaker between Ag and Si than between An and Si. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码：191 / 195
页数：5
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