Tuning the electronic and optical properties of GaAs nanowire (10-10) surfaces by Zn doping: First-principles study
作者： Lei Liu , Yu Diao , Sihao Xia
DOI: 10.1016/J.SSC.2018.11.003
关键词:
摘要: Abstract To reveal the tuning effect of Zn doping on electronic and optical properties GaAs nanowire (10-10) surfaces, pristine Zn-doped surface models with different positions concentration are built. The formation energy, work function, atomic structure, charge distribution, band structure these surfaces discussed via first-principles calculations. Results show that atom has a strong tendency to be close position form p-type surface. become more unstable as increasing concentration. Besides, functions reduced compared one. In addition, conductivity is observed after atom. Moreover, absorption coefficients doped smaller than surfaces.
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