Structural and thermodynamic properties of SbAsGa2 and SbPGa2 chalcopyrites

Computational Materials Science

Volumn 47, Issue 3, 2010, Pages 655-659

  Ouahrani, T ^a   Otero de la Roza, A ^b   Khenata, R ^c   Luana V ^b   Amrani, B ^c  

^a Laboratoire de Physique Théorique   (Algeria)

^b UNIVERSITY OF OVIEDO   (Spain)

^c UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

Elastic constants; FPLAPW; Quasi harmonic Debye model; Structural properties

Indexed keywords

ANTIMONY COMPOUNDS; ARSENIC COMPOUNDS; CALCULATIONS; COPPER COMPOUNDS; ELASTIC CONSTANTS; GROUND STATE; PHONONS; SPECIFIC HEAT; STRUCTURAL PROPERTIES;

AUGMENTED PLANE WAVES; CUBIC EXPANSION COEFFICIENTS; EXPERIMENTAL CONFIRMATION; FIRST-PRINCIPLES CALCULATION; FP-LAPW; GROUND STATE PROPERTIES; PRESSURE DERIVATIVES; QUASI-HARMONIC DEBYE MODEL;

GALLIUM COMPOUNDS;

EID: 72449130862     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.10.001     Document Type: Article

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