Adsorption structure of germanium on the Ru(0001) surface

被引：4
|
作者：
Lu, Y. H.
Jia, Y.
Zhang, H. J.
Song, B.
Li, H. Y.
Bao, S. N.
He, P. [1 ]
机构：
[1] Zhejiang Univ, Dept Phys, Hangzhou 310027, Peoples R China
[2] Zhengzhou Univ, Sch Phys & Engn, Zhengzhou 450052, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2007年 / 254卷 / 02期
基金：
中国国家自然科学基金;
关键词：
Ge/Ru growth system; adsorption structure; Ab initio DFT calculation; scanning tunneling microscopy;
D O I：
10.1016/j.apsusc.2007.05.084
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：
Coverage-dependent adsorption energy of the Ge/Ru(0 0 0 1) growth system and the geometrical distortions of the most stable adsorption structure are investigated through first-principles calculations within density functional theory. A local minimum in adsorption energy is found to be at a Ge coverage of 1/7 monolayer with a Ru(0 0 0 1)-root 21 x root 21-3Ge symmetry. Based on this stale superstructure, the scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) images are simulated by means of surface local-density of states (LDOS). The results are consistent well with the STM measurements on the root 21 x root 21 phase for Ge overlayer on Ru(0 0 0 1). From this stimulation, the relations between the STM images and the lattice distortion are also clarified. (c) 2007 Published by Elsevier B.V.
引用
收藏
页码：431 / 435
页数：5
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