Abstract
Strontium-based spinel chalcogenides are promising materials for energy harvesting and spintronics. Therefore, the electronic, ferromagnetic, and thermoelectric properties of SrZ2S4 (Z = V, Cr) spinels are thoroughly investigated. The formation energy and energy released during optimization demonstrate the stability of the cubic phase in a ferromagnetic state. The spin polarisation and the Curie temperature have been calculated using the density of states (DOSs) and the Heisenberg model. To explore ferromagnetism, exchange energies, the double exchange mechanism, exchange constants, and the hybridization process have all been used. The decrease in the magnetic moment for V/Cr and its shift to nonmagnetic (Sr, S) sites show that ferromagnetism is caused by electron exchange rather than V/Cr atom clustering. In the end, electrical and thermal conductivities, Seeback coefficient (S), and power factor have been used to explain the thermoelectric analysis for energy applications. Ultralow thermal conductivity values lessen the impact of heat on electron spin, extending the device’s useful life. All of these aspects, when taken together, provide a comprehensive picture of the role electron exchange plays in ferromagnetism and its application in energy devices.
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