Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2017, Vol. 28 ›› Issue (3): 32 doi: 10.1007/s41365-017-0194-y

• LOW ENERGY ACCELERATOR, RAY AND APPLICATIONS • Previous Articles     Next Articles

Electronic structure and optical properties of the scintillation material wurtzite ZnS(Ag)

Dong-Yang Jiang 1  Zheng Zhang 1  Rui-Xue Liang 2  Zhi-Hong Zhang 1  Yang Li 1  Qiang Zhao 1  Xiao-Ping Ouyang 1,3,4   

  1. 1 Beijing Key Laboratory of Passive Safety Technology for Nuclear Energy, School of Nuclear Science and Engineering, North China Electric Power University, Beijing 102206, China
    2 School of Electrical and Electronic Engineering, North China Electric Power University, Beijing 102206, China
    3 Northwest Institute of Nuclear Technology, Xi’an 710024, China
    4 School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, China
D.-Y. Jiang · Z. Zhang · R.-X. Liang · Z.-H. Zhang · Y. Li · Q. Zhao · X.-P. Ouyang. Electronic structure and optical properties of the scintillation material wurtzite ZnS(Ag).Nuclear Science and Techniques, 2017, 28(3): 32     doi: 10.1007/s41365-017-0194-y

Abstract:

In order to investigate the effect of Ag doping (ZnS(Ag)) and Zn vacancy (VZn) on the alpha particle detection performance of wurtzite (WZ) ZnS as a scintillation
cell component, the electronic structure and optical properties of ZnS, ZnS(Ag), and VZn were studied by firstprinciple calculation based on the density functional theory.
The results show that the band gaps of ZnS, ZnS(Ag), and VZn are 2.17, 1.79, and 2.37 eV, respectively. Both ZnS(Ag) and VZn enhance the absorption and reflection of
the low energy photons. A specific energy, about 2.9 eV, leading to decrease of detection efficiency is observed. The results indicate that Ag doping has a complex effect on the detection performance. It is beneficial to produce more visible light photons than pure WZ ZnS when exposed to the same amount of radiation, while the increase of the
absorption to visible light photons weakens the detection performance. Zn vacancy has negative effect on the detection performance. If we want to improve the detection
performance of WZ ZnS, Ag doping will be a good way, but we should reduce the absorption to visible light photons and control the number of Zn vacancy rigorously.

Key words: Wurtzite ZnS, Electronic structure, Optical properties, First-principle