Origin of the magnetic properties of MnFe2O4 spinel ferrite: Ab initio and Monte Carlo simulation

Abstract

In this work, the electronic and magnetic properties of bulk spinel ferrite MnFe2O4 were carried out using ab initio calculations and Monte Carlo simulation. The electronic properties as well as, the exchange coupling interactions and the magnetic anisotropy were calculated using Density functional theory. The obtained exchange couplings between nearest n eighbours (JAB = −21.8 K, JBB = 13.7 K and JAA = 8.6 K) and the magnetic anisotropy were used as input parameters in a classical Ising model to study the finite-temperature effects on the magnetic properties of bulk MnFe2O4 with different size. It is shown that MnFe2O4 has a magnetic transition around 559.26 K.