First-Principles Study of Wurtzite GaAs(1010) Surface

Shu Wei; Zhang Xia; Huang Hui; Huang Yongqing; Ren Xiaomin

doi:10.3788/lop48.041601

Journals >Laser & Optoelectronics Progress >Volume 48 >Issue 4 >Page 41601 > Article

Laser & Optoelectronics Progress
Vol. 48, Issue 4, 41601 (2011)

First-Principles Study of Wurtzite GaAs(1010) Surface

Shu Wei^*, Zhang Xia, Huang Hui, Huang Yongqing, and Ren Xiaomin

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[in Chinese]

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DOI: 10.3788/lop48.041601 Cite this Article Set citation alerts

Shu Wei, Zhang Xia, Huang Hui, Huang Yongqing, Ren Xiaomin. First-Principles Study of Wurtzite GaAs(1010) Surface[J]. Laser & Optoelectronics Progress, 2011, 48(4): 41601 Copy Citation Text

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Abstract

In contrast to its cubic zincblende phase under bulk form, GaAs nanowires usually adopt wurtzite structure. Surface reconstructions of wurtzite GaAs(1010)A and GaAs(1010)B surfaces have been investigated by using first-principles calculations. The results show that Ga-Ga and As-As dimmers are formed on GaAs (1010)B surface with surface energy 63.5×1020 meV/m2, while no reconstructions are formed on GaAs (1010)A with surface energy 40.6×1020 meV/m2. The relaxed GaAs WZ(1010)A surface has lower surface free energy and more stable.

Keywords

first principles surface energy surface reconstruction wurtzite structure

Shu Wei, Zhang Xia, Huang Hui, Huang Yongqing, Ren Xiaomin. First-Principles Study of Wurtzite GaAs(1010) Surface[J]. Laser & Optoelectronics Progress, 2011, 48(4): 41601

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