A first-principles study on the structural, elastic, vibrational, and thermodynamical properties of BaX (X=S, Se, and Te)

Journal of Physics and Chemistry of Solids

Volumn 70, Issue 2, 2009, Pages 371-378

  Tuncel, E ^a   Colakoglu, K ^a   Deligoz, E ^b   Ciftci, Y O ^a  

^a GAZI UNIVERSITY   (Turkey)

^b AKSARAY UNIVERSITY   (Turkey)

Author keywords

C. Ab initio calculations; D. Elastic properties; D. Lattice dynamics; D. Mechanical properties; D. Thermodynamic properties

Indexed keywords

CRYSTAL LATTICES; DENSITY FUNCTIONAL THEORY; DYNAMICS; ELASTICITY; LATTICE VIBRATIONS; LITHIUM COMPOUNDS; MECHANICAL PROPERTIES; PROGRAMMING THEORY; SOLIDS; TELLURIUM COMPOUNDS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

C. AB-INITIO CALCULATIONS; D. ELASTIC PROPERTIES; D. LATTICE DYNAMICS; D. MECHANICAL PROPERTIES; D. THERMODYNAMIC PROPERTIES;

VIBRATIONS (MECHANICAL);

EID: 59049096092     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2008.11.002     Document Type: Article

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