FP-APW+lo study of the elastic, electronic and optical properties for the cubic antiperovskite ANSr3 (A=As, Sb and Bi) under pressure effect

Physica B: Condensed Matter

Volumn 405, Issue 7, 2010, Pages 1894-1900

  Hichour, M ^a   Khenata, R ^a,e   Rached, D ^b   Hachemaoui, M ^a   Bouhemadou, A ^c,e   Reshak, Ali H ^d   Semari, F ^b  

^a UNIVERSITÉ DE MASCARA   (Algeria)

^b UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^c FERHAT ABBAS UNIVERSITY   (Algeria)

^d UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^e KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

Antiperovskite; Elastic properties; Electronic structure; Fp APW+lo; Optical properties

Indexed keywords

ANTIPEROVSKITE; AUGMENTED PLANE WAVES; BAND GAPS; BULK MODULUS; BULK PROPERTIES; CHARGE DENSITY DISTRIBUTIONS; DENSITY OF STATE; DIELECTRIC FUNCTIONS; ELASTIC PROPERTIES; ENERGY BAND STRUCTURE; ENERGY BANDGAPS; ENERGY LOSS FUNCTION; EXCHANGE-CORRELATION POTENTIAL; GENERALIZED GRADIENT APPROXIMATIONS; IMAGINARY PARTS; IONIC CHARACTER; LOCAL ORBITALS; POISSON'S RATIO; POLYCRYSTALLINE; PRESSURE DEPENDENCE; PRESSURE DERIVATIVES; SHEAR MODULUS; SOUND VELOCITIES; TOTAL ENERGY; YOUNG'S MODULUS;

DEBYE TEMPERATURE; ELASTIC MODULI; ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY DISSIPATION; ENERGY GAP; LATTICE CONSTANTS; ORGANIC POLYMERS; POISSON RATIO; PRASEODYMIUM COMPOUNDS; PRESSURE EFFECTS; REFRACTIVE INDEX;

STRUCTURAL PROPERTIES;

EID: 76649083235     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.01.069     Document Type: Article

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