First principles investigation of barium chalcogenide ternary alloys

Computational Materials Science

Volumn 46, Issue 2, 2009, Pages 376-382

  Drablia, S ^a,b   Meradji, H ^a   Ghemid, S ^a   Nouet, G ^b   El Haj Hassan, F ^c  

^a BADJI MOKHTAR UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE CAEN   (France)

^c LEBANESE UNIVERSITY   (Lebanon)

Author keywords

Bowing gap; Critical temperature; FP LAPW; Optical properties

Indexed keywords

DENSITY FUNCTIONAL THEORY; ENERGY GAP; OPTICAL PROPERTIES; REFRACTIVE INDEX; TERNARY ALLOYS; THERMODYNAMIC STABILITY;

BOWING GAP; COMPOSITION DEPENDENCE; CRITICAL TEMPERATURES; DIELECTRIC FUNCTIONS; EXCESS ENTHALPIES; FIRST-PRINCIPLES INVESTIGATIONS; FP-LAPW; FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVE METHOD;

BARIUM ALLOYS;

EID: 67749120211     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.03.013     Document Type: Article

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