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

First principle calculations of structural and elastic properties of ZnAl₂O₄, ZnGa₂O₄ and ZnIn₂O₄ compounds are presented, using the pseudo-potential plane-waves approach based on density functional theory, within the generalized gradient approximation GGA. The lattice constants and internal parameters are in good agreement with the available experimental results. Young's modulus, Poisson ratio, bulk modulus, elastic constants and their pressure dependence are also calculated. As the experimental elastic constants are not available hence our results were only compared with the available theoretical values obtained at equilibrium volume.