Study of Half Metallic Ferromagnetism and Thermoelectric Properties of Spinel Chalcogenides BaCr2X4 (X = S, Se, Te) for Spintronic and Energy Harvesting

The control of spin degree of freedom in electronics open new horizons to manipulate, transfer, and storage data at fasters speed. For this the structural, electronic, and magnetic characteristics of BaCr 2 X 4 (X = S, Se, Te) spinels are addressed comprehensively. The more energy release in ferromagnetic states than antiferromagnetic states, and formation energy verified thermal stability in FM states. The Curie temperature, and spin polarization density have been reported for room temperature ferromagnetism. The detail and nature of ferromagnetism have illustrated by band structures, density of states, hybridization, double exchange mechanism, crystal field energy, exchange energies and exchange constants. The transfer of magnetic moment from Cr sites to other nonmagnetic sites (Ba, X) ensures the ferromagnetism due to exchange of electrons instead of clustering. Moreover, thermoelectric characteristics are explored with spin (↑) and spin (↓) separately in terms of conductivities, Seebeck coefficient, and power factor. Finally combined the spins to analyze the thermoelectric importance for real applications.