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Structural, electronic and optical properties of spinel MgAl 2 O 4 oxide
Author(s) -
Hosseini S. M.
Publication year - 2008
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200844142
Subject(s) - refractive index , wavelength , spinel , oxide , dielectric , materials science , dispersion (optics) , dielectric function , optics , density functional theory , plane wave , visible spectrum , electronic band structure , range (aeronautics) , molecular physics , chemistry , optoelectronics , condensed matter physics , physics , computational chemistry , metallurgy , composite material
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 performed 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. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)