First-principles investigations of GaAs (112)-(2×2) surface reconstruction

Advances in Optoelectronics and Micro/nano-optics Pub Date : 2010-12-01 DOI:10.1109/AOM.2010.5713533

W. Shu, Xia Zhang, Xiaolong Liu, Hui Huang, Yongqing Huang, X. Ren

引用次数: 1

Abstract

We have investigated surface reconstructions of GaAs(112)A and GaAs(112)B surfaces using first-principles calculations. Ga-Ga and As-As dimmers are formed on GaAs(112)A and GaAs(112)B surface, respectively. The results show that the relaxed GaAs (112) A surface has lower surface free energy, 60.6 meV/Å2, while GaAs (112) B has 69.4 meV/Å2. The surface relaxation caused mainly from the top two layers. The analysis of surface electronic properties also has been demonstrated.

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GaAs (112)-(2×2)表面重建的第一性原理研究

我们利用第一性原理计算研究了GaAs(112)A和GaAs(112)B表面的重建。在GaAs(112)A和GaAs(112)B表面分别形成Ga-Ga和As-As二聚体。结果表明，松弛GaAs (112) A表面的表面自由能较低，为60.6 meV/Å2，而GaAs (112) B表面自由能为69.4 meV/Å2。表面弛豫主要由最上面两层引起。对表面电子特性的分析也进行了论证。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Advances in Optoelectronics and Micro/nano-optics

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