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- W2077624176 abstract "The electronic structures and absorption spectra for the perfect PbWO4 (PWO) crystal and the crystal containing aggregated defect [V2+O–V2−Pb–V2+O]2+ have been calculated using density functional theory code CASTEP with the lattice structure optimized. The calculated absorption spectra of the PWO crystal containing the aggregated defect [V2+O–V2−Pb–V2+O]2+ exhibit three absorption bands peaking at 1.68 eV (740 nm), 2.25 eV (560 nm), 2.50 eV (470 nm). It predicts that the 450–750 nm absorption bands are related to the existence of the aggregated defect [V2+O–V2−Pb–V2+O]2+ in the PWO crystal." @default.
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- W2077624176 date "2005-08-01" @default.
- W2077624176 modified "2023-09-23" @default.
- W2077624176 title "Study on the electronic structures and absorption spectra for the PbWO4 crystal with the defect [V2+O–V2−Pb–V2+O]2+" @default.
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- W2077624176 doi "https://doi.org/10.1016/j.physleta.2005.06.022" @default.
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