Mechanical and thermodynamic properties of seven phases of SrHfO3: First-principles calculations

Computational Materials Science

Volumn 48, Issue 3, 2010, Pages 677-679

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

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

Author keywords

Elastic properties; Mechanical properties; Perovskites; Thermal properties

Indexed keywords

ATOMIC BONDING; DEDYE TEMPERATURE; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; ORTHORHOMBIC STRUCTURES; PLANE WAVE; SHEAR MODULUS; STABLE PHASE; THERMAL PROPERTIES; ULTRASOFT PSEUDOPOTENTIALS;

DENSITY FUNCTIONAL THEORY; ELASTICITY; THERMODYNAMIC PROPERTIES;

MECHANICAL PROPERTIES;

EID: 77950954404     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.03.005     Document Type: Article

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