Volume 28 Issue 6
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HU Yong-Jin, HE Kai-Hua. Electronic Structure and Photoelectric Properties ofZnTe under High Pressure[J]. Chinese Journal of High Pressure Physics, 2014, 28(6): 641-647. doi: 10.11858/gywlxb.2014.06.001
Citation: HU Yong-Jin, HE Kai-Hua. Electronic Structure and Photoelectric Properties ofZnTe under High Pressure[J]. Chinese Journal of High Pressure Physics, 2014, 28(6): 641-647. doi: 10.11858/gywlxb.2014.06.001

Electronic Structure and Photoelectric Properties ofZnTe under High Pressure

doi: 10.11858/gywlxb.2014.06.001
  • Received Date: 14 Nov 2013
  • Rev Recd Date: 29 Dec 2013
  • The electrons structure and photoelectric properties of zinc-blende structural ZnTe were investigated under high pressure, using first-principles plane-wave pseudo-potential method.The dielectric function and optical absorption coefficient were also predicted under high pressure.The results show that the distributions of density of states of Te and Zn atoms under high pressure shift towards lower energy direction and cover wider range.High pressure leads to stronger hybridization between Te 5p and Zn 3d electrons.The direct band gap increases gradually with pressure while the indirect band gap decreases.The direct band gap structure becomes an indirect one when the ambient pressure reaches 10.7 GPa.High pressure helps the transitions between Te 5p and Zn 3d electrons.The optical absorption coefficient increases, which leads to more electron-hole pairs and enhances the conductivity.

     

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