The First-Principle Study of the Electronic Structure, Ferromagnetic and Thermoelectric Properties of Spinel Alloy FeAl₂O₄ Using mBJ Functional Approach

In this research work, the modified Becke and Johnson potential has been used to realize the actual electronic states and band gap properties of FeAl₂O₄. Ferromagnetism is illustrated in terms of John-Teller energy and exchange energies involved in the system due to electron spin. Moreover, the exchange constants also support the ferromagnetism in the studied compound. The reduction of the magnetic moment of Fe from its free space value and the shifting of the magnetic moment to nonmagnetic sites are the consequence of strong magnetization. In the end, the electrical conductivity and Seebeck coefficient incorporated to give a high value of the power factor and thermal efficiency for energy renewable devices.