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Half-metallic ferromagnetism study of quaternary fluoro-elpasolite Rb2NaCrF6

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Abstract

In this work, we have predicted the structural, electronic, and magnetic properties of the quaternary fluoro-elpasolite Rb2NaCrF6 alloy. We have performed our calculations by the use of first-principle methods developed on spin-polarized density functional theory, where the electronic exchange–correlation potential is evaluated by the generalized gradient approximation GGA-PBEsol coupled with the improved TB-mBJ approach. The calculated structural parameters of Rb2NaCrF6 are in good agreement with the available experimental data. Rb2NaCrF6 exhibits a half-metallic ferromagnetic feature with a spin polarization of 100% at the Fermi level and a direct large half-metallic gap of 2.04 eV. The total magnetic moments are 3μB. This compound is half-metallic ferromagnets, and it can be potential candidates for spintronics applications at a higher temperature.

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Authors and Affiliations

  1. Centre Universitaire Nour Bachir El Bayadh, 32000, El Bayadh, Algeria

    Mohamed Berber, Nour Eddine Bouzouira & Mouad Mebrek

  2. Laboratoire d’Instrumentation et Matériaux Avancés, Centre Universitaire Nour Bachir El-Bayadh, BP 900 Route Aflou, 32000, El Bayadh, Algeria

    Mohamed Berber & Mouad Mebrek

  3. Laboratory of Physical Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, 22000, Sidi-Bel-Abbes, Algeria

    Nour Eddine Bouzouira

  4. Applied Materials Laboratory, Research Center, Sidi Bel Abbès Djillali Liabes University, 22000, Sidi Bel Abbès, Algeria

    Hamza Abid

  5. Laboratory of Physico-Chemical Studies, University of Saida, 20000, Sidon, Algeria

    Abdelkader Boudali

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  1. Mohamed Berber
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  2. Nour Eddine Bouzouira
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  3. Mouad Mebrek
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  4. Hamza Abid
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  5. Abdelkader Boudali
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Correspondence to Mohamed Berber.

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Berber, M., Bouzouira, N.E., Mebrek, M. et al. Half-metallic ferromagnetism study of quaternary fluoro-elpasolite Rb2NaCrF6. Appl. Phys. A 126, 864 (2020). https://doi.org/10.1007/s00339-020-04052-w

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