Structural, elastic, and lattice dynamical properties of YB2 compound

Computational Materials Science

Volumn 50, Issue 3, 2011, Pages 1057-1063

  Ozisik, H ^a   Deligoz, E ^a   Colakoglu, K ^b   Ciftci, Y O ^b  

^a AKSARAY UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

Ab initio calculations; Elastic properties; Phonons; Thermodynamical properties; YB2

Indexed keywords

AB INITIO CALCULATIONS; BULK MODULUS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELASTIC PROPERTIES; EXCHANGE-CORRELATIONS; HEAT CAPACITIES; INTERNAL ENERGIES; LATTICE DYNAMICAL PROPERTIES; PHONON DENSITY OF STATE; PHONON DISPERSION CURVES; SHEAR MODULUS; SOUND VELOCITIES; TEMPERATURE DEPENDENT; THERMODYNAMICAL PROPERTIES; THERMODYNAMICAL QUANTITIES; YB2; YOUNG'S MODULUS;

CALCULATIONS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; LATTICE CONSTANTS; MECHANICAL PROPERTIES; PHONONS;

STRUCTURAL PROPERTIES;

EID: 78650681926     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.10.046     Document Type: Article

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