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

Author

Shu, Wei ; Zhang, Xia ; Liu, Xiaolong ; Huang, Hui ; Huang, Yongqing ; Ren, Xiaomin

Author_Institution

Key Lab. of Inf. Photonics & Opt. Commun., Beijing Univ. of Posts & Telecommun., Beijing, China

fYear

2010

fDate

3-6 Dec. 2010

Firstpage

1

Lastpage

3

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.

Keywords

III-V semiconductors; ab initio calculations; free energy; gallium arsenide; surface energy; surface reconstruction; GaAs; first-principles investigations; surface electronic properties; surface free energy; surface reconstruction; surface relaxation; Atomic layer deposition; Gallium; Gallium arsenide; Nanowires; Slabs; Surface morphology; Surface reconstruction; First principles; surface free energy; surface reconstructions;

fLanguage

English

Publisher

ieee

Conference_Titel

Advances in Optoelectronics and Micro/Nano-Optics (AOM), 2010 OSA-IEEE-COS

Conference_Location

Guangzhou

Print_ISBN

978-1-4244-8393-8

Electronic_ISBN

978-1-4244-8392-1

Type

conf

DOI

10.1109/AOM.2010.5713533

Filename

5713533