Electronic Band Profile and Optical Response of Spinel MgIn₂O₄ through Modified Becke–Johnson Potential

We employ the first-principles technique based on the modified Becke–Johnson (BJ) exchange potential for the prediction of the electronic band structure, optical properties, and electron density of the cubic MgIn₂O₄ spinel compound. It is found that the calculated band gap value with the modified BJ approximation is significantly improved over the results based on the generalized gradient approximation and the local density approximation in comparison to the experimental data. The band gap dependent optical parameters such as the dielectric constant, refractive index, reflectivity, optical conductivity, and electron density are predicted. The optical response suggests that MgIn₂O₄ is an applicant material in optoelectronic devices in various parts of the energy spectrum like MgAl₂O₄ and MgGa₂O₄.