Lattice dynamical and thermodynamical properties of HfB2 and TaB2 compounds

Computational Materials Science

Volumn 47, Issue 4, 2010, Pages 875-880

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

^a AKSARAY UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

Ab initio; Diborides; HfB2; Lattice dynamics; TaB2; Thermodynamics properties

Indexed keywords

AB INITIO; DIBORIDES; FIRST-PRINCIPLES; GENERALIZED GRADIENT APPROXIMATIONS; HEAT CAPACITIES; INTERNAL ENERGIES; LATTICE DYNAMICS; MODEL EXCHANGE; PHONON DISPERSIONS; STRUCTURAL PARAMETER; TEMPERATURE DEPENDENT; THERMODYNAMICAL PROPERTIES; THERMODYNAMICS PROPERTY; TOTAL ENERGY CALCULATION;

BOND LENGTH; BORIDES; HAFNIUM; LATTICE VIBRATIONS; SOLIDS; TANTALUM; THERMODYNAMICS;

LATTICE CONSTANTS;

EID: 74149089130     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.11.017     Document Type: Article

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