The structural, electronic, elastic, phonon, and thermodynamical properties of the SmX (X = P, Sb, Bi) compounds

Computational Materials Science

Volumn 47, Issue 3, 2010, Pages 758-768

  Coban C ^a   Colakoglu K ^b   Deligoz E ^c   Çiftçi, Y Ö ^b  

^a MARMARA UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

^c AKSARAY UNIVERSITY   (Turkey)

Author keywords

Ab initio calculation; Elastic properties; Electronic band structure; Lattice dynamics; Thermodynamical properties

Indexed keywords

AB INITIO CALCULATIONS; ELASTIC PROPERTIES; ELECTRONIC BAND STRUCTURE; LATTICE DYNAMICS; THERMODYNAMICAL PROPERTIES;

ANTIMONY COMPOUNDS; BAND STRUCTURE; BISMUTH COMPOUNDS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; LATTICE CONSTANTS; LATTICE VIBRATIONS; PHASE TRANSITIONS; PHONONS; POISSON RATIO; SODIUM CHLORIDE; SOLIDS; SPIN DYNAMICS; WAVE FUNCTIONS;

STRUCTURAL PROPERTIES;

EID: 72149102417     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.11.001     Document Type: Article

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