Laser & Optoelectronics Progress, Volume. 48, Issue 4, 41601(2011)
First-Principles Study of Wurtzite GaAs(1010) Surface
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
Category: Materials
Received: Aug. 23, 2010
Accepted: --
Published Online: Mar. 24, 2011
The Author Email: Wei Shu (001shuwei@sina.com)