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In this article, the electronic and structural properties of MgAl₂O₄ such as lattice constant, bulk modulus, compressibility, density; and optical propertieshave been investigated . Calculations were performed using the Full-Potential-Linearized Argument Plane Wave (FP-LAPW) method in the density functional theory framework by Wien2k  code. Structural properties and band gap have been studied with different approximations. Compared to experimental results,the results of structural properties withGGA-WCapproximation and the results of band gap withLDA approximation have been better compatibility, therefor; the MBJ method along with two mentioned approximations has been used later. The effect of pressure on MgAl₂O₄ have been investigated withMBJ+GGA(WC)approximation. The optical properties such as dielectric function, refraction index, extinction coefficient and energyloss function have been studied. The obtained results from band structure shows that MgAl₂O₄is an insulator and the band gap is equal to 7.67 eV. Therefraction indexis equal to 1.55. The obtained results have been in good agreement with other theory and experimental results.

Keywords: MgAl2O4, band gap, Density functional theory, structural properties, hubard

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