Laser & Optoelectronics Progress, Volume. 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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    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.

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    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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    Paper Information

    Category: Materials

    Received: Aug. 23, 2010

    Accepted: --

    Published Online: Mar. 24, 2011

    The Author Email: Wei Shu (001shuwei@sina.com)

    DOI:10.3788/lop48.041601

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