Structural, electronic and optical properties of spinel MgAl2O4 oxide

The structure, band structure, total density of states, dielectric function, reflectivity, refractive index and loss function have been calculated for spinel MgAl(2)O(4) oxide using density functional theory. The full-potential linearized augmented plane wave method was used with the generalized gradient approximation. Calculations of the optical spectra have been perfomed for the energy range 0-40 eV. It is shown that the material is transparent at visible wavelengths and the dispersion curve of the refractive index is fairly flat in the long-wavelength region and rises rapidly towards shorter wavelengths. The refractive index is 1.774 at 800 nm near the visible region. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim