Pseudo-potential calculations of structural and elastic properties of spinel oxides ZnX2O4 (X = Al, Ga, In) under pressure effect

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 360, Issue 2, 2006, Pages 339-343

  Bouhemadou, A ^a   Khenata, R ^b  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

DFT; Elastic properties; PP PW; Pressure effect; Spinels; Structural properties

Indexed keywords

ALUMINUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; EQUILIBRIUM CONSTANTS; GALLIUM COMPOUNDS; INDIUM COMPOUNDS; LATTICE CONSTANTS; STRUCTURAL PROPERTIES; ZINC COMPOUNDS;

ELASTIC PROPERTIES; FIRST PRINCIPLE CALCULATIONS; GENERALIZED GRADIENT APPROXIMATIONS; INTERNAL PARAMETERS; PRESSURE DEPENDENCE; PSEUDOPOTENTIALS; SPINELS; THEORETICAL VALUES;

PRESSURE EFFECTS;

EID: 33751044444     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2006.08.008     Document Type: Article

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