First-principles study of electronic, elastic, and lattice vibrational properties of Pbnm orthorhombic SrHfO3

Journal of Electronic Materials

Volumn 42, Issue 6, 2013, Pages 993-998

  Yangthaisong, A ^a  

^a UBON RATCHATHANI UNIVERSITY   (Thailand)

Author keywords

first principles; Orthorhombic SrHfO3; Raman modes; screened exchange

Indexed keywords

DENSITY FUNCTIONAL PERTURBATION THEORY; FIRST PRINCIPLES; FIRST-PRINCIPLES PSEUDOPOTENTIAL CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; ORTHORHOMBIC SRHFO3; RAMAN MODES; SCREENED EXCHANGES; THEORETICAL AND EXPERIMENTAL;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; PHOTOELECTRONS; PLATES (STRUCTURAL COMPONENTS); X RAY PHOTOELECTRON SPECTROSCOPY;

CALCULATIONS;

EID: 84877766564     PISSN: 03615235     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11664-013-2492-4     Document Type: Article

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