Global structural optimization of Si magic clusters on the Si(111) 7 x 7 surface

被引：14
|
作者：
Chuang, FC [1 ]
Liu, B
Wang, CZ
Chan, TL
Ho, KM
机构：
[1] Iowa State Univ, Ames Lab, US Dept Energy, Ames, IA 50011 USA
[2] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
来源：
SURFACE SCIENCE | 2005年 / 598卷 / 1-3期
关键词：
clusters; self-assembly; molecular dynamics; density functional calculations; scanning tunneling microscopy; surface energy; silicon; low index single crystal surfaces;
D O I：
10.1016/j.susc.2005.09.025
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：
We performed global structural optimization using a genetic algorithm in combination with tight-binding and first-principles calculations to study the structures of the magic clusters on the Si(111) 7 x 7 surface. Our calculations show that the magic cluster observed in scanning tunneling microscopy (STM) experiment [I.S. Hwang, M.S. Ho, T.T. Tsong, Phys. Rev. Lett. 83 (1999) 120] consists of eight Si atoms on the faulted half of the Si(111) 7 x 7 surface. Simulated STM images of our Si magic cluster exhibit a ring-like feature similar to STM experiments. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：L339 / L346
页数：8
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