First principles predictions on mechanical and physical properties of HoX (X = As, P)

Materials Chemistry and Physics

Volumn 125, Issue 3, 2011, Pages 887-894

  Coban C ^a   Colakoglu K ^b   Cift Ci Y O ^b  

^a BALIKESIR UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

Elastic properties; HoAs and HoP; Lattice dynamics; Thermodynamic properties

Indexed keywords

AB INITIO CALCULATIONS; ANISOTROPY FACTOR; BULK MODULUS; COHESIVE ENERGIES; ELASTIC PROPERTIES; ELECTRONIC BAND STRUCTURE; FIRST-PRINCIPLES; HEAT CAPACITIES; HOAS AND HOP; LATTICE DYNAMICS; MECHANICAL AND PHYSICAL PROPERTIES; ONE-PHONON DENSITY; PARTIAL DENSITY OF STATE; PHONON FREQUENCIES; POISSON'S RATIO; PRESSURE AND TEMPERATURE; PRESSURE DERIVATIVES; PRESSURE RANGES; ROCK-SALT STRUCTURE; SECOND ORDERS; SHEAR MODULUS; STRUCTURAL PARAMETER; TEMPERATURE RANGE; THERMAL EXPANSION COEFFICIENTS; VIENNA AB-INITIO SIMULATION PACKAGES; YOUNG'S MODULUS;

DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; DYNAMICS; ELASTIC MODULI; ELASTICITY; LATTICE CONSTANTS; LATTICE VIBRATIONS; MECHANICAL PROPERTIES; PHONONS; POISSON RATIO; SOLIDS; TEMPERATURE; THERMAL EXPANSION; THERMODYNAMICS;

STRUCTURAL PROPERTIES;

EID: 78650031114     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2010.09.024     Document Type: Article

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