Elastic and electronic properties of the alkali pnictide compounds Li 3Sb, Li3Bi, Li2NaSb and Li2NaBi

Computational Materials Science

Volumn 50, Issue 10, 2011, Pages 2880-2885

  Kalarasse, L ^a   Bennecer, B ^a   Kalarasse, F ^a  

^a UNIVERSITY OF GUELMA   (Algeria)

Author keywords

Ab initio calculations; Elastic properties; Electronic properties; Semiconductors

Indexed keywords

AB INITIO CALCULATIONS; ANTIMONIDES; BAND GAPS; BINARY COMPOUNDS; ELASTIC PROPERTIES; EXCHANGE AND CORRELATION EFFECTS; FIRST-PRINCIPLES CALCULATION; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD; GENERALIZED GRADIENT APPROXIMATIONS; LOCAL DENSITY; PNICTIDES; POLYCRYSTALLINE SAMPLES;

BISMUTH COMPOUNDS; CALCULATIONS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; ELASTICITY; ELECTRONIC PROPERTIES; STABILITY CRITERIA;

ANTIMONY COMPOUNDS;

EID: 79959507948     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.05.003     Document Type: Article

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