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2005 Volume 14 Issue 6
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Liu Ting-Yu, Zhang Qi-Ren, Zhuang Song-Lin. 2005: Optical polarized properties related to the oxygen vacancy defect in the PbWO4 crystal, Chinese Physics B, 14(6): 1142-1146.
Citation: Liu Ting-Yu, Zhang Qi-Ren, Zhuang Song-Lin. 2005: Optical polarized properties related to the oxygen vacancy defect in the PbWO4 crystal, Chinese Physics B, 14(6): 1142-1146.
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Optical polarized properties related to the oxygen vacancy defect in the PbWO4 crystal

  • University of Shanghai for Science and Technology, Shanghai 200093, China

  • Available Online: 30/06/2005
  • Fund Project: the Scientific Development Foundation of Shanghai Municipal Education Committee, China (Grant N 04EB09)
  • The electronic structures, dielectric functions, complex refractive index and absorption spectra for the PbWO4 (PWO) crystal with and without oxygen vacancy V2O2+ have been calculated using the full-potential (linearized) augmented planewave (FP-LAPW)+local orbitals (LO) method with the lattice structure optimized. The calculated results indicate that the optical properties of the PWO crystal show anisotropy and its optical symmetry coincides with the lattice structure geometry of the PWO crystal. The calculated absorption spectra indicate that the stoichiometric PWO crystal does not display absorption band in the visible and near-ultraviolet range. However, in this range, the absorption spectra of the PWO crystal containing VO2+ exhibit two peaks at 3.35eV (370nm) and 2.95eV (420nm), respectively. It is revealed that the 350nm and 420nm absorption bands are related to the existence of VO2+ in the PWO crystal.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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Optical polarized properties related to the oxygen vacancy defect in the PbWO4 crystal

  • Available Online: 30/06/2005

Abstract: The electronic structures, dielectric functions, complex refractive index and absorption spectra for the PbWO4 (PWO) crystal with and without oxygen vacancy V2O2+ have been calculated using the full-potential (linearized) augmented planewave (FP-LAPW)+local orbitals (LO) method with the lattice structure optimized. The calculated results indicate that the optical properties of the PWO crystal show anisotropy and its optical symmetry coincides with the lattice structure geometry of the PWO crystal. The calculated absorption spectra indicate that the stoichiometric PWO crystal does not display absorption band in the visible and near-ultraviolet range. However, in this range, the absorption spectra of the PWO crystal containing VO2+ exhibit two peaks at 3.35eV (370nm) and 2.95eV (420nm), respectively. It is revealed that the 350nm and 420nm absorption bands are related to the existence of VO2+ in the PWO crystal.

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