Study of role of spin in ferromagnetism and thermoelectric characteristics of spinel chalcognides MgEr2(S/Se)4 for spintronic and clean energy

The rare earth elements are become emerging source of ferromagnetism in spinel chalcogenides which can open the new ways for spintronic industry. Therefore, here in this article, the electronic, ferromagnetic, and transport features of MgEr2(S/Se)4 are studied systematically. The enthalpy of formation (Delta H) has been reported for assurance of thermodynamic existence and energy release during optimization in ferromagnetic state (FM) guarantee the magnetic stability. Curie temperature (Tc) describes by Heisenberg through classical model. The spin polarization density, and band structures (BS) evaluation depict the ferromagnetism and complete spin polarization. The densities of states (DOS) are elaborated the role of p-d coupling in terms of exchange energies Delta x(pd) and Crystal field energy Delta CF. The exchange mechanism of electrons spin, and exchange constants are calculated to note the energy lowering in spin down which confirm the stable ferromagnetism. Furthermore, thermoelectric characteristics are evaluated for energy harvesting and their effect on electrons spin functionality. The large power factor, and ultralow thermal conductivity make them appealing for thermoelectric generators.