First-principles elastic and bonding properties of barium chalcogenides

Computational Materials Science

Volumn 38, Issue 2, 2006, Pages 362-368

  El Haj Hassan, F ^a   Akbarzadeh, H ^b  

^a LEBANESE UNIVERSITY   (Lebanon)

^b ISFAHAN UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Cohesive energy; Elastic constants; FP LAPW; Ionicity factor

Indexed keywords

APPROXIMATION THEORY; BONDING; CARRIER CONCENTRATION; CHEMICAL BONDS; ELASTIC MODULI; PROBABILITY DENSITY FUNCTION;

COHESIVE ENERGY; ELASTIC CONSTANTS; FP-LAPW; IONICITY FACTORS;

BARIUM COMPOUNDS;

EID: 33750467999     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.09.012     Document Type: Article

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