JOURNAL ARTICLE

PbWO4晶体空位型缺陷电子结构的研究

Abstract

ThispaperpresentsastudyonelectronicstructuresofdefectsassociatedwithoxygenvacancyVOandleadvacancyVPbinleadtungstatecrystals (PbWO4) ,bytherelativisticself consistentdiscretevariationalembeddedclustermethod .Furthermore,theexcitationenergyisalsocalculated.WefoundthatWO3 +VOcouldbetheabsorptioncenterat3 50nmand 42 0nm ,andtheexistenceofVPbcandiminishthebandgapofWO42 -.

Keywords:
Materials science

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