Electronic Science and Technology ›› 2019, Vol. 32 ›› Issue (2): 20-24.doi: 10.16180/j.cnki.issn1007-7820.2019.02.005

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Electrical and Optical Properties of ZnO Doped with Rare Earth Element (Sm,Tm)

WANG Yan,YANG Ping   

  1. School of Mechanical Engineering,Jiangsu University,Zhenjiang 212013,China
  • Received:2018-02-01 Online:2019-02-15 Published:2019-01-02
  • Supported by:
    National Natural Science Foundation of China(61076098)


Based on the CASTEP module in Materials Studio software, the band structure, density of states and optical properties of rare earth elements (Sm and Tm) doped ZnO were calculated and analyzed by using the first principles plane wave super soft pseudo potential method. The calculated results showed that the energy band of the doped system became thicker and denser, and the impurity energy level was presented. The Fermi energy moved upward from the top of the valence band to the conduction band. The system transformed into degenerate semiconductor, and showed stronger metallicity which prsented n type conduction. Furthermore, the changes of the absorption coefficient and the dielectric function after doping were analyzed.

Key words: ZnO, doping, first principles, rare earth elements, band structures, density of states, optical properties

CLC Number: 

  • TN304