First-principles calculations of structural, elastic, electronic and optical properties of the antiperovskite AsNMg3

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 371, Issue 4, 2007, Pages 337-343

  Bouhemadou, A ^a   Khenata, R ^b   Chegaar, M ^a   Maabed, S ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

AsNMg3; Elastic constants; Electronic properties; Optical properties; PP PW method; Pressure effect

Indexed keywords

ARSENIC COMPOUNDS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELECTRONIC PROPERTIES; ENERGY DISSIPATION; ENERGY GAP; MAGNESIUM COMPOUNDS; OPTICAL PROPERTIES; PRESSURE EFFECTS; REFRACTIVE INDEX;

ASNMG3; ELECTRONIC AND OPTICAL PROPERTIES; EXPERIMENTAL CONFIRMATION; EXTINCTION COEFFICIENTS; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; PP-PW METHODS; PRESSURE COEFFICIENTS;

NITROGEN COMPOUNDS;

EID: 35948993402     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2007.06.030     Document Type: Article

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