First-principles study on electronic structure and absorption spectra for the CaWO4 crystal with oxygen vacancy

Computational Materials Science

Volumn 43, Issue 4, 2008, Pages 1018-1021

  Shao, Zexu ^a   Zhang, Qiren ^a   Liu, Tingyu ^a   Chen, Jianyu ^a  

^a UNIVERSITY OF SHANGHAI FOR SCIENCE AND TECHNOLOGY   (China)

Author keywords

Absorption spectra; CASTEP; CaWO4 crystal; Electronic structure; Oxygen vacancy

Indexed keywords

ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY ABSORPTION; LIGHT ABSORPTION; SPECTRUM ANALYSIS;

ABSORPTION SPECTRA; CASTEP; CAWO4 CRYSTAL; FIRST PRINCIPLES STUDIES; OXYGEN VACANCY;

ABSORPTION;

EID: 52949115607     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.02.013     Document Type: Article

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