Prediction study of the structural, elastic and electronic properties of ANSr3 (A = As, Sb and Bi)

Computational Materials Science

Volumn 46, Issue 4, 2009, Pages 881-886

  Haddadi, K ^a   Bouhemadou, A ^a   Louail, L ^a   Rahal, F ^b   Maabed, S ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITY OF M'SILA   (Algeria)

Author keywords

Anti perovskite; Elastic properties; Electronic properties; PP PW method; Pressure effect

Indexed keywords

ANTI-PEROVSKITE; BULK MODULUS; ELASTIC PROPERTIES; EXPERIMENTAL CONFIRMATION; FINITE STRAIN; FIRST-PRINCIPLES; IONIC NATURE; LAME'S CONSTANT; POISSON'S RATIO; POLYCRYSTALLINE; PP-PW METHOD; PRESSURE DEPENDENCE; PROJECTED DENSITY; SHEAR MODULUS; SOUND VELOCITIES; THEORETICAL PREDICTION; TOTAL ENERGY CALCULATION; YOUNG'S MODULUS;

CHARGE TRANSFER; ELASTIC CONSTANTS; ELASTICITY; ELECTRONIC PROPERTIES; ION EXCHANGE; LATTICE CONSTANTS; OXIDE MINERALS; PEROVSKITE; POISSON RATIO; PRESSURE EFFECTS; PUMPING PLANTS;

ELASTIC MODULI;

EID: 70349164153     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.04.028     Document Type: Article

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