Abstract
The electronic structures, dielectric functions, complex refractive index and absorption spectra on the polarized light for both the perfect scheelite- and raspite-structured PbWO4 (PWO) have been calculated using LAPW+LO method. The calculated results indicate that the optical properties of the raspite-structured PWO (RSP) crystal occur anisotropy and its optical symmetry coincides with its lattice structure geometry and the optical properties of the RSP crystal are obviously different from those of the scheelite-structured PWO (SSP) crystal. Furthermore, the optical properties of PWO crystal are sensitive to its structure. The absorption spectra of the RSP crystal do not occur in the visible and near-ultraviolet range and the RSP crystal is a transparent crystal.
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