First-principles study of electronic and optical properties of Pbnm orthorhombic SrHfO3

Computational Materials Science

Volumn 50, Issue 2, 2010, Pages 454-458

  Feng, Li Ping ^a   Liu, Zheng Tang ^a   Liu, Qi Jun ^a   Tian, Hao ^a  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Electronic structure; First principles; Optical properties; Orthorhombic SrHfO3

Indexed keywords

ABSORPTION COEFFICIENTS; COMPLEX CONDUCTIVITY; COMPLEX DIELECTRIC FUNCTIONS; DENSITIES OF STATE; DENSITY APPROXIMATIONS; DIRECT BAND GAP; ENERGY-LOSS SPECTRUM; EXPERIMENTAL MEASUREMENTS; EXPERIMENTAL VALUES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; ORTHORHOMBIC SRHFO3; REAL PART;

ABSORPTION SPECTROSCOPY; BAND STRUCTURE; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EQUILIBRIUM CONSTANTS; HAFNIUM; LATTICE CONSTANTS; REFRACTIVE INDEX;

STRUCTURAL PROPERTIES;

EID: 78449264280     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.09.003     Document Type: Article

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