First-principles study on the electronic structures and absorption spectra for Th4+: PbWO4 crystal

Article ID	Journal	Published Year	Pages	File Type
9801888	Solid State Communications	2005	4 Pages	PDF

Abstract

The electronic structures and absorption spectra for Th4+: PbWO4 have been calculated using density functional theory code CASTEP with the lattice structure optimized. It is shown by calculation that the visible range absorptions of the lead vacancy contained PWO crystal can be completely quenched by the doping of Th4+. The quenching of the 330, 360 and 420Â nm absorption bands are discussed.

Keywords

78.20.Ci 71.20.Ps 61.72.Ji 61.72.Bb D. Electronic structures

Related Topics

Physical Sciences and Engineering Materials Science Materials Science (General)

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First-principles study on the electronic structures and absorption spectra for Th4+: PbWO4 crystal

Authors

Yi Zhijun, Liu Tingyu, Zhang Qiren, Sun Yuanyuan,