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Investigation of the structural properties and the magneto-electronic performances in new Ba1−xCrxS materials

Abstract : The structural parameters, exchange splittings, half-metallic property, electronic features and magnetic performances of Ba1−xCrxS materials were determined by utilizing the computational methods of density functional theory. The localized magnetic spins in the Ba1−xCrxS result from the effect of the hole carriers caused by the d shells of Cr atom, hybridizing with p levels of S atom. The ferromagnetism is mostly endorsed by the exchange splitting owing to its large contribution than that of the crystal field. The Ba1−xCrxS (x = 0.25), Ba1−xCrxS (x = 0.5)and Ba1−xCrxS (x = 0.75) materials have half-metallic characteristic with ferromagnetic state, where their electronic structures demonstrate spin polarizations of 100% with half-gaps of 0.815, 0.912 and 0.72 eV, respectively. Therefore, Ba1−xCrxS systems have better magneto-electronic performances, making them appropriate half-metallic materials for spin-injection applications for spintronics.
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https://hal-univ-artois.archives-ouvertes.fr/hal-03781807
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Submitted on : Tuesday, September 20, 2022 - 4:45:06 PM
Last modification on : Tuesday, September 27, 2022 - 4:18:25 AM

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Bendouma Doumi, Miloud Boutaleb, Allel Mokaddem, Djillali Bensaid, Abdelkader Tadjer, et al.. Investigation of the structural properties and the magneto-electronic performances in new Ba1−xCrxS materials. Optical and Quantum Electronics, Springer Verlag, 2022, 54 (11), pp.747. ⟨10.1007/s11082-022-04112-w⟩. ⟨hal-03781807⟩

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