Structural parameters, electronic structures, elastic stiffness and thermal properties of M2PC (M=V, Nb, Ta)

Physica B: Condensed Matter

Volumn 406, Issue 14, 2011, Pages 2851-2857

  Bouhemadou, A ^a,b   Khenata, R ^b,c   Binomran, S ^b  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b KING SAUD UNIVERSITY   (Saudi Arabia)

^c UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

Ab initio calculations; Elastic properties; MAX phases; Pressure effect; Structural properties; Thermal properties

Indexed keywords

AB INITIO CALCULATIONS; BULK MODULUS; CALCULATION OF DENSITY; ELASTIC PROPERTIES; ELASTIC STIFFNESS; FINITE STRAIN; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRICAL PARAMETERS; LATTICE PARAMETERS; MAX PHASIS; NUMERICAL ESTIMATION; PLANE WAVE METHODS; POLYCRYSTALLINE; PRESSURE DEPENDENCE; SHEAR MODULUS; SOUND VELOCITIES; STRUCTURAL PARAMETER; THEORETICAL MINIMUM; THERMAL PROPERTIES; ZERO PRESSURE;

CALCULATIONS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; PRESSURE EFFECTS; SHEAR FLOW; STIFFNESS; THERMAL CONDUCTIVITY;

STRUCTURAL PROPERTIES;

EID: 79957710232     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2011.04.047     Document Type: Article

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