THEORETICAL INVESTIGATION OF THE STRUCTURE OF THE (ROOT-3X-ROOT-3R30-DEGREES-AU/SI(111) SURFACE

被引：81

作者：

DING, YG ^{[1
]}

CHAN, CT ^{[1
]}

HO, KM ^{[1
]}

机构：

[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS,AMES,IA 50011

来源：

SURFACE SCIENCE | 1992年 / 275卷 / 03期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0039-6028(92)90785-5

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：

The structure of the (square-root 3 X square-root 3)R30-degrees-Au/Si(111) surface is investigated using first principles total energy calculations. Most models proposed by experiments have been tested. The lowest energy model is a conjugate honeycomb-chained-trimer (CHCT-1) configuration which consists of a top layer of trimers formed by Au atoms lying above a "missing top layer" Si(111) substrate with a honeycomb-chained-trimer structure for its first layer. The electronic charge densities from bands around the Fermi level give a good description of the images observed in STM experiments.

引用

页码：L691 / L696

页数：6

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