Title :
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
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;
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
DOI :
10.1109/AOM.2010.5713533
