The dependence of exchange constants and electronic structure of manganese ferrite on the scaling factor

The exchange constants and electronic structure of manganese ferrite (MnFe₂O₄) are calculated using a modified Becke three-parameter exchange-correlation functional. The electronic structure parameters, on-site Coulomb repulsion (U) and bandgap (E_g), are deduced from the calculated density of states (DOS). The dependence of exchange constants and electronic structure parameters on the weight of Fock exchange (w) in the exchange-correlation functional and the scaling factor of 3d orbital of Fe³⁺ ion (α) are modeled in this paper.