Ab initio study of structural, electronic, elastic and high pressure properties of barium chalcogenides

Computational Materials Science

Volumn 38, Issue 2, 2006, Pages 263-270

  Bouhemadou, A ^a   Khenata, R ^b   Zegrar, F ^a   Sahnoun, M ^c   Baltache, H ^b   Reshak, A H ^d  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

^c UNIVERSITY OF FRIBOURG   (Switzerland)

^d INDIAN INSTITUTE OF TECHNOLOGY ROORKEE   (India)

Author keywords

Barium chalcogenides; Elastic constants; Electronic structure; FP LAPW; GGA EV; Phase transition; Semiconductors

Indexed keywords

ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HIGH PRESSURE EFFECTS; PHASE TRANSITIONS; SEMICONDUCTOR MATERIALS; SODIUM CHLORIDE;

BARIUM CHALCOGENIDES; ELASTIC CONSTANTS; FP-LAPW; GGA-EV;

BARIUM COMPOUNDS;

EID: 33751025990     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.03.001     Document Type: Article

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