Electronic Structures of PbWO4 Crystals Containing F-Type Colour Centres
YI Zhi-Jun, LIU Ting-Yu, ZHANG Qi-Ren, SUN Yuan-Yuan
College of Science, University of Shanghai for Science and Technology, Shanghai 200093
Electronic Structures of PbWO4 Crystals Containing F-Type Colour Centres
YI Zhi-Jun;LIU Ting-Yu;ZHANG Qi-Ren;SUN Yuan-Yuan
College of Science, University of Shanghai for Science and Technology, Shanghai 200093
关键词 ：
61.72.Ji ,
61.72.Bb ,
71.15.-m
Abstract ： Electronic structures of PbWO4 crystals containing F-type colour centres with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Dirac--Slater theory, using a numerically discrete variational (DV-Xα) method. The calculated results show that F and F+ centres have donor energy levels in the forbidden bands. Their optical transition energies are 1.84eV and 2.21eV, respectively, which correspond to the 680nm and 550nm absorption bands. It is predicted that the 680nm and 550nm absorption bands originate from the F and F+ centres in PbWO4 crystals.
Key words ：
61.72.Ji
61.72.Bb
71.15.-m
出版日期: 2005-10-01
引用本文:
YI Zhi-Jun;LIU Ting-Yu;ZHANG Qi-Ren;SUN Yuan-Yuan. Electronic Structures of PbWO4 Crystals Containing F-Type Colour Centres[J]. 中国物理快报, 2005, 22(10): 2618-2621.
4 Crystals Containing F-Type Colour Centres. Chin. Phys. Lett., 2005, 22(10): 2618-2621.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2005/V22/I10/2618
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2005, Vol. 22 
