First-principles study of electronic structure, chemical bonding, and optical properties of cubic SrHfO3

Journal of Physics and Chemistry of Solids

Volumn 70, Issue 2, 2009, Pages 412-416

  Feng, Zhenbao ^a   Hu, Haiquan ^a   Cui, Shouxin ^a   Bai, Chenglin ^a   Li, Hengshuai ^a  

^a LIAOCHENG UNIVERSITY   (China)

Author keywords

D. Electronic structure; D. Optical properties

Indexed keywords

CHEMICAL BONDS; CHEMICAL PROPERTIES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HAFNIUM COMPOUNDS; OPTICAL PROPERTIES;

CHEMICAL BONDINGS; COMPLEX DIELECTRIC FUNCTIONS; D. ELECTRONIC STRUCTURE; D. OPTICAL PROPERTIES; DENSITY OF STATE; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; EXPERIMENTAL DATUM; FIRST-PRINCIPLES STUDIES; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; LOCAL ORBITALS; SPIN-ORBIT COUPLINGS;

STRUCTURAL PROPERTIES;

EID: 59049094105     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2008.11.011     Document Type: Article

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