%0 Journal Article %T 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 %A Yao Ming-Zhen %A Liang Ling %A Gu Mu %A Duan Yong %A Ma Xiao-Hui %A
姚明珍 %A 梁玲 %A 顾牡 %A 段勇 %A 马晓辉 %J 物理学报 %D 2002 %I %X 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- . %K PbWO %K 4 crystal %K density functional theory %K oxygen and lead vacancies %K density state
PbWO4晶体 %K 密度泛函 %K 氧空位和铅空位 %K 态密度分布 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=36C62AD8264CAC09&yid=C3ACC247184A22C1&vid=987EDA49D8A7A635&iid=CA4FD0336C81A37A&sid=F122871CC7EC92DC&eid=1F199509C0B6C4D6&journal_id=1000-3290&journal_name=物理学报&referenced_num=12&reference_num=16