Adsorption of alkali metals on Ge(001)(2 x 1) surface

被引：19
作者：
Xiao, HY
Zu, XT [1 ]
Zhang, YF
Gao, F
机构：
[1] Univ Elect Sci & Technol, Dept Appl Phys, Chengdu 610054, Peoples R China
[2] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China
[3] Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China
[4] Pacific NW Natl Lab, Richland, WA 99352 USA
来源：
CHEMICAL PHYSICS LETTERS | 2006年 / 417卷 / 1-3期
关键词：
D O I：
10.1016/j.cplett.2005.09.103
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Ab initio total energy calculations have been performed for Na, K and Rb adsorption on Ge(001)(2 x 1) surface. It was found that the adsorption site of AM is AM size dependent. Structural analysis showed that the Ge-Ge dimer bond becomes stronger with increasing AM size. As the coverage increases from 0.5 to 1 ML it turns out that no depolarization effect occurs upon Na adsorption, while this effect becomes more important with increasing AM size. We also found that for all adsorption systems investigated the germanium surface is metallic and semiconducting for the coverage of 0.5 and I ML, respectively. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：6 / 10
页数：5
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