Electronic structures of defects associated with intrinsic vacancies in PbWO_4 crystals
PbWO4晶体空位型缺陷电子结构的研究

This paper presents a study on electronic structures of defects associated with oxygen vacancy V O and lead vacancy V Pb in lead tungstate crystals (PbWO 4), by the relativistic self consistent discrete variational embedded cluster method. Furthermore, the excitation energy is also calculated. We found that WO 3+ V O could be the absorption center at 350nm and 420nm, and the existence of V Pb can diminish the band gap of WO 4 2- .