Lattice vibrational properties of Al2X (X = Sc, Y) from density functional theory calculations

Solid State Communications

Volumn 152, Issue 2, 2012, Pages 76-80

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

^a AKSARAY UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

D. Heat capacity; D. Phonons; D. Thermodynamic properties

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DIRECT METHOD; GENERALIZED GRADIENT APPROXIMATIONS; HARMONIC APPROXIMATION; INTERNAL ENERGIES; LATTICE VIBRATIONAL; PHONON DISPERSION CURVES; TEMPERATURE DEPENDENCE; THERMODYNAMICAL QUANTITIES; Y COMPOUNDS;

ALUMINUM; PHONONS; SPECIFIC HEAT;

DENSITY FUNCTIONAL THEORY;

EID: 82955212979     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2011.10.041     Document Type: Article

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