First-principles investigations on structural, elastic and electronic properties of SnO2 under pressure

Computational Materials Science

Volumn 50, Issue 4, 2011, Pages 1571-1577

  Liu, Chun Mei ^a   Chen, Xiang Rong ^a,b   Ji, Guang Fu ^c  

^a SICHUAN UNIVERSITY   (China)

^b INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^c RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

Density functional theory; Elastic properties; Electronic structure; SnO2

Indexed keywords

ACOUSTIC VELOCITY; BULK MODULUS; COMPRESSIONAL; DENSITY FUNCTIONAL THEORY METHODS; DENSITY OF STATE; ELASTIC ANISOTROPY; ELASTIC PROPERTIES; EQUILIBRIUM PHASE; EXPERIMENTAL VALUES; FIRST-PRINCIPLES INVESTIGATIONS; PLANE WAVE; PRESSURE DEPENDENCE; PRESSURE DERIVATIVES; PSEUDOPOTENTIALS; SHEAR WAVE VELOCITY; SNO2;

DEBYE TEMPERATURE; ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; ORGANIC POLYMERS; OXIDE MINERALS; STRUCTURAL PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 79151479668     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.12.018     Document Type: Conference Paper

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