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The electronic structure, dielectric functions, complex refractive indices and absorption spectra for the polarized light from the perfect PbWO4(PWO) crystal and the PWO crystal containing V2-Pb have been calcula ted using LAPW +LDA method with lattice structure optimized. The peaks of the absorpti on spectra corresponding to the electronic transitions have been studied. The op tical properties of PWO crystal containing V2-Pb are aniso trop ic. It may be caused by the anisotropy of lattice structure of the PWO crystal. Our calculated results indicate that the perfect PWO crystal does not have absor ption band in the visible and near_ultraviolet region, but the PWO crystal conta ining V2-Pb has absorption bands in visible and near_ultra viol et region. The absorption bands can be well decomposed into four Gaussian_shape bands peaking at about 350, 405, 550 and 670 nm. It predicates that these absor ption bands are related to the existence of the V2-Pb in t he PWO crystal.







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