Structural, elastic, and lattice dynamical properties of Germanium diiodide (GeI2)

Computational Materials Science

Volumn 50, Issue 2, 2010, Pages 349-355

  Ozisik, H ^a   Colakoglu, K ^b   Ozisik, H B ^a,b   Deligoz, E ^a  

^a AKSARAY UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

Ab initio calculations; Germanium diiodide; Lattice dynamical properties; Mechanical properties

Indexed keywords

AB INITIO CALCULATIONS; BULK MODULUS; DIRECT BAND GAP; ELECTRONIC BAND; FIRST DERIVATIVE; FIRST-PRINCIPLES CALCULATION; HEAT CAPACITIES; INTERNAL ENERGIES; LATTICE DYNAMICAL PROPERTIES; LOCAL DENSITY; PARTIAL DENSITY OF STATE; PHONON DISPERSION CURVES; PHYSICAL PARAMETERS; POISSON'S RATIO; SHEAR MODULUS; TEMPERATURE DEPENDENT; THERMODYNAMICAL PROPERTIES; YOUNG'S MODULUS;

APPROXIMATION THEORY; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; GERMANIUM; LATTICE CONSTANTS; LATTICE VIBRATIONS; POISSON RATIO; STRUCTURAL PROPERTIES;

MECHANICAL PROPERTIES;

EID: 78449236925     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.08.026     Document Type: Article

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