Elastic constants and high pressure structural transitions in yttrium pnictides

Computational Materials Science

Volumn 43, Issue 4, 2008, Pages 1112-1116

  Bouhemadou, A ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

Author keywords

Ab initio; Elastic constants; High pressure; Phase transition; Yttrium pnictides

Indexed keywords

ARSENIC COMPOUNDS; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; POISSON RATIO; PROBABILITY DENSITY FUNCTION; SODIUM CHLORIDE; YTTRIUM; YTTRIUM ALLOYS;

AB INITIO; B1 PHASE; BULK MODULUS; ELASTIC PROPERTIES; EXPERIMENTAL CONFIRMATION; EXPERIMENTAL DATA; FINITE STRAINING; FIRST-PRINCIPLES CALCULATIONS; GENERALIZED GRADIENT APPROXIMATION; HIGH PRESSURE; PHASE TRANSITION; PLANE-WAVES; PNICTIDE; PNICTIDES; PRESSURE DEPENDENCE; PRESSURE DERIVATIVES; SHEAR MODULUS; SOUND VELOCITIES; STRUCTURAL PHASE TRANSITION; STRUCTURAL TRANSITIONS; YOUNG'S MODULUS; YTTRIUM PNICTIDES;

YTTRIUM COMPOUNDS;

EID: 52949132629     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.03.006     Document Type: Article

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