article · Journal of Materials Research and Technology
Controlling the spin degree of freedom in electronic systems provides a route to faster data manipulation, transfer, and storage. An investigation of BaCr2X4 spinels, where X represents sulphur, selenium, or tellurium, examines their structural, electronic, magnetic, and thermoelectric properties. Thermal stability in ferromagnetic states is verified by formation energy calculations and higher energy releases compared to antiferromagnetic states. The origin of ferromagnetism is shown to stem from electron exchange between chromium sites and non-magnetic barium and chalcogen sites, ruling out magnetic clustering. Curie temperature and spin polarisation density metrics indicate room-temperature ferromagnetism. Furthermore, thermoelectric characteristics, including conductivities, Seebeck coefficient values, and power factors, were evaluated for individual and combined spin channels to evaluate their potential in functional devices.
Harnessing both electron spin and thermoelectric performance is crucial for advancing energy-efficient computing and waste-heat recovery. Materials that maintain stable ferromagnetism at room temperature can enable faster data processing components. By outlining the fundamental physical and transport mechanisms in these spinel chalcogenides, the findings assist researchers seeking candidate materials that simultaneously support spintronic memory devices and solid-state energy generation.
This research is at an early theoretical or fundamental stage. It provides baseline property data that could eventually guide materials engineers and hardware designers working on spintronic data-storage elements and thermoelectric power generators. Practical commercialisation remains distant, as the findings require experimental synthesis, laboratory verification, and extensive prototyping before device manufacturers can adopt these compounds.
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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 BaCr2X4 (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.
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DOI: 10.1016/j.jmrt.2022.03.175
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