Study on the optical polarized properties for the PbWO4 crystal with a pair of VPb2--VO2+

The electronic structures, dielectric function, complex refractive index and absorption spectra of both the perfect PbWO4 crystal and the crystal containing a pair of VPb2--VO2+ have been calculated using LAPW + lo method with the lattice structure optimized. The results indicate that the optical properties of the PWO crystal exhibit anisotropy and its optical symmetry coincides with lattice structure geometry of the PWO crystal. The absorption spectrum of the PWO crystal containing a pair of VPb2--VO2+ also does not occur in the visible and near-ultraviolet range. It reveals that the existence of the pair of VPb2--VO2+ in PWO crystal has no visible effects on the optical properties of the PWO crystal.