Surface phase diagram of (2X4) and (4X2) reconstructions of GaAs(001)

被引：73

作者：

Schmidt, WG

Mirbt, S

Bechstedt, F

机构：

[1] Univ Uppsala, Inst Fys, S-75121 Uppsala, Sweden

[2] Univ Jena, IFTO, D-07743 Jena, Germany

来源：

PHYSICAL REVIEW B | 2000年 / 62卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.62.8087

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Total-energy calculations for a series of (2x4) and (4x2) reconstructed GaAs(001) surfaces not included in previous theoretical studies are presented. A (2x4) surface model containing single anion dimers in the first and third atomic layers is predicted for a balanced surface stoichiometry. It is more stable than the two-As-dimer a structure assumed previously, due to its lower electrostatic energy. Our results for the (4x2) reconstructed surface confirm the two-Ga-dimer beta 2 structure suggested by Biegelsen and co-workers. Nearly degenerate in energy, however, are mixed Ga-As dimers adsorbed on a Ga-terminated substrate.

引用

收藏

页码：8087 / 8091

页数：5

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