STRUCTURE OF THE (SQUARE-ROOT-OF-3 X SQUARE-ROOT-OF-3)R30-DEGREES AG/SI(111) SURFACE FROM 1ST-PRINCIPLES CALCULATIONS

被引：182

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：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 11期

关键词：

D O I：

10.1103/PhysRevLett.67.1454

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The structure of (square-root 3 x square-root 3) Ag/Si(111) is investigated using first-principles total-energy calculations. The lowest-energy configuration consists of a top layer of Ag atoms arranged as "honeycomb chained trimers" lying above a distorted "missing-top-layer" Si(111) substrate. We find that the honeycomb structure observed in scanning-tunneling-microscope images arises from the electronic charge density of an empty surface band near the Fermi level.

引用

页码：1454 / 1457

页数：4

共 45 条

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