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Investigation Insights into Electronic Structures, Exchange Splittings, Induced Ferromagnetism, and Half-Metallic Feature in New Ti-Doped BaS

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Abstract

The new Ba1 − xTixS compounds based on the titanium (Ti)-doped BaS at various concentrations x = 0.25, 0.5, and 0.75 were characterized using the first-principle concepts of density functional theory. We investigated the doping effect of titanium on the structural and electronic properties, induced ferromagnetism, half-metallicity, and exchange splittings in Ba1 − xTixS materials. The origin of ferromagnetism in the Ba1−xTixS compounds is due to the localized partially occupied 3d (Ti) states related to the double exchange mechanism. The electronic structures of Ba1 − xTixS at concentrations x = 0.25 and 0.5 show half-metallic ferromagnetic character with spin polarization of 100%. For the concentration x = 0.75, the Ba0.25Ti0.75S compound exhibits a metallic nature for two spins channels due to widening 3d (Ti) states in the gap. Therefore, Ba1 − xTixS at concentrations x = 0.25 and 0.5 seems to be a candidate for spintronics.

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Authors and Affiliations

  1. Faculty of Sciences, Department of Physics, Dr. Tahar Moulay University of Saida, Saida, 20000, Algeria

    B. Doumi

  2. Instrumentation and Advanced Materials Laboratory, University Center of Nour Bachir El-Bayadh, El-Bayadh, 32000, Algeria

    B. Doumi & A. Mokaddem

  3. University Center of Nour Bachir El-Bayadh, El-Bayadh, 32000, Algeria

    A. Mokaddem

  4. Modelling and Simulation in Materials Science Laboratory, Physics Department, Djillali Liabes University of Sidi Bel-Abbes, Sidi Bel-Abbes, 22000, Algeria

    A. Tadjer

Authors
  1. B. Doumi
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  2. A. Mokaddem
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  3. A. Tadjer
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Correspondence to B. Doumi or A. Mokaddem.

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Doumi, B., Mokaddem, A. & Tadjer, A. Investigation Insights into Electronic Structures, Exchange Splittings, Induced Ferromagnetism, and Half-Metallic Feature in New Ti-Doped BaS. Jetp Lett. 112, 568–576 (2020). https://doi.org/10.1134/S0021364020210018

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  • DOI: https://doi.org/10.1134/S0021364020210018

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