First-principles study of structural, electronic, optical and bonding properties of celestine, SrSO4

Solid State Communications

Volumn 158, Issue , 2013, Pages 5-8

  Hu, Zuowei ^a   Zhang, Chuanyu ^a   Li, Yun ^a   Ao, Bingyun ^b  

^a CHENGDU UNIVERSITY OF TECHNOLOGY   (China)

^b SCIENCE AND TECHNOLOGY ON SURFACE PHYSICS AND CHEMISTRY LABORATORY   (China)

Author keywords

A. Inorganic compound; C. Crystal structure; D. Electronic structure; D. Optical properties

Indexed keywords

DENSITY APPROXIMATIONS; DIELECTRIC FUNCTIONS; EXPERIMENTAL DATUM; EXTINCTION COEFFICIENTS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; MULLIKEN POPULATIONS;

BAND STRUCTURE; ELECTRONIC STRUCTURE; INORGANIC COMPOUNDS; REFRACTIVE INDEX;

CALCULATIONS;

EID: 84875152307     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2012.05.030     Document Type: Article

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