NEW STRUCTURAL MODEL FOR THE ALKALI-INDUCED SI(111)-(3X1) RECONSTRUCTION FROM FIRST PRINCIPLES

被引：61

作者：

ERWIN, SC

机构：

[1] Complex Systems Theory Branch, Naval Research Laboratory, Washington

来源：

PHYSICAL REVIEW LETTERS | 1995年 / 75卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.75.1973

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new structural model is proposed for the alkali-induced Si(111)-(3 X 1) reconstruction, based on a natural extension of the Si(111)-(2 X 1) pi-bonded chain reconstruction. First-principles total-energy calculations for several alkali adsorbates show this model to be stable relative to previously proposed models. The calculated electronic dispersion is in quantitative agreement with photoemission data, and simulated scanning-tunneling microscopy images largely reproduce those of experiment.

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页码：1973 / 1976

页数：4

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