Effect of the cations distribution on the magnetic properties of SnFe2O4: First-principles study

In this work, a study of the electronic and magnetic properties of SnFe2O4 spinel ferrite for different case of octahedral and tetrahedral distribution was carried out by using the Full Potential Linearized Plane Wave (FP-LAPW) method in density functional theory (DFT) implemented in the WIEN2K package, with the generalized gradient (GGA) and Tran-Blaha modified Becke-Johnson approximations for the exchange and correlation functional. Our spin-polarized calculations based on mBJ correction show a half metallic behavior for SnFe2O4 which confirm the usefulness of SnFe2O4 in spintronic application. From the magnetic properties calculations, it is found that the magnetic moment per formula unit is 8.0327 µβ, 0.000015 µβ and 3.99µβ in SnFe2O4 100% normal, 100% inverse and 50% inverse, respectively.