Journal of Jianghan University(Natural Science Edition) ›› 2015, Vol. 43 ›› Issue (3): 226-228.

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Analysis of Defects of GaSb with the First-Principle Calculation

ZHOU Yifan， HOU Qun*， PENG Xin， ZHANG Long   

  1. School of Physics and Information Engineering，Jianghan University，Wuhan 430056，Hubei，China
  • Online:2015-06-28 Published:2015-07-02

Abstract: Based on the density function theory and the generalized gradient approximation，the formation energies of different defects in the bulk GaSb are calculated. The calculation results show that no matter under the Ga-rich condition or Sb-rich condition，the main defects are VGa and GaSb ，which all contribute to P-type semiconductor.

Key words: first-principle calculation, GaSb, defect mode, formation energy

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