Theory of the "honeycomb chain-channel" reconstruction of M/Si(111)-(3x1)

被引：173

作者：

Erwin, SC ^{[1
]}

Weitering, HH

机构：

[1] USN, Res Lab, Complex Syst Theory Branch, Washington, DC 20375 USA

[2] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA

[3] Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 11期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevLett.81.2296

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

First-principles electronic-structure methods are used to study a structural model for Ag/Si(111)-(3 x 1), recently proposed on the basis of transmission electron diffraction data. The fully relaxed geometry for this model is far more energetically favorable than any previously proposed, partly due to the unusual formation of a Si double bond in the surface layer. The calculated electronic properties of this model are in complete agreement with data from angle-resolved photoemission and scanning tunneling microscopy.

引用

页码：2296 / 2299

页数：4

共 15 条

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