Title of article
First-principles study on the electronic structures and absorption spectra for Th4+: PbWO4 crystal
Author/Authors
Zhijun، نويسنده , , Yi and Tingyu، نويسنده , , Liu and Qiren، نويسنده , , Zhang and Yuanyuan، نويسنده , , Sun، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
4
From page
550
To page
553
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 420 nm absorption bands are discussed.
Keywords
A. PbWO4 crystal , D. Electronic structures , D. Lead vacancy , E. Absorption spectra
Journal title
Solid State Communications
Serial Year
2005
Journal title
Solid State Communications
Record number
1763340
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