Structural models for the √19x√19 reconstruction of the GaAs((1)over-bar(1)over-bar(1)over-bar) surface and their relative stabilities

被引：9

作者：

Haugk, M ^{[1
]}

Elsner, J ^{[1
]}

Sternberg, M ^{[1
]}

Frauenheim, T ^{[1
]}

机构：

[1] Tech Univ, Inst Phys, D-09017 Chemnitz, Germany

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 21期

关键词：

D O I：

10.1088/0953-8984/10/21/010

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present a theoretical study of the relative formation energies for possible models of the root 19 x root 19 reconstruction found under Ga-rich growth conditions at the GaAs((111) over bar) surface. The energetically most favourable model has fourfold-coordinated Ga atoms on the surface, exhibiting metallic bonding character. This structure differs as regards the electron-counting rule (ECR) from the well accepted models for the (100), (110) and (111) surfaces of GaAs. Our results suggest that it is still possible to explain the stability of the metallic ((111) over bar) surface with a rule similar to the ECR.

引用

页码：4523 / 4532

页数：10

共 20 条

[11] GaAs equilibrium crystal shape from first principles [J].