Structural, electronic and optical properties of spinel oxides ZnAl2O4, ZnGa2O4 and ZnIn2O4
We report the systematic trends for structural, band structure, total density of states, dielectric
function, reflectivity, refractive index and loss function for the family of spinel oxides ZnB2O4
depending on the type of B element (B are Al, Ga and In). The full-potential augmented
plane wave plus local orbitals method based on the density functional theory is used within
the generalized gradient approximation (GGA). Moreover, the alternative form of GGA
proposed by Engel and Vosko (GGA-EV) is also used for the band structure calculations …
function, reflectivity, refractive index and loss function for the family of spinel oxides ZnB2O4
depending on the type of B element (B are Al, Ga and In). The full-potential augmented
plane wave plus local orbitals method based on the density functional theory is used within
the generalized gradient approximation (GGA). Moreover, the alternative form of GGA
proposed by Engel and Vosko (GGA-EV) is also used for the band structure calculations …
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