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Half-metallic Ferromagnetism in Novel Rh 2 -based Full-Heusler Alloys Rh 2 FeZ (Z = Ga and In)

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Abstract

In this approach, we have employed the ab initio method of full-potential linearized plane waves plus local orbital based on the framework of density functional theory, within the spin generalized gradient approximation plus U (GGA+U), where U is the Hubbard correlation term for exchange-correlation potential. This method is used to predict the equilibrium structural parameters, the electronic structure, and the magnetic properties of Rh2FeGa and Rh2FeIn full-Heusler alloys. The structural properties result show that both Rh2FeGa and Rh2FeIn compounds are stable in ferromagnetic states. The spin-polarized electronic structure demonstrate that both full-Heusler compounds are half-metals with half-metallic band gap (E HM) of 0.326 eV for Rh2FeGa alloy and 0.245 eV for Rh2FeIn alloy, where the apparition of an indirect gap from Γ to X in minority spin is shown by these Heusler alloys. Furthermore, calculations of total magnetic moment give the value of 5 µB, which agrees with Slater-Pauling rule; also, the atomic magnetic moment of both Rh and Fe transition metals have the same sign which depicts the ferromagnetic behavior.

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Authors and Affiliations

  1. Département de Physique, Faculté des Sciences Exactes, Université de Mascara, B.P. 305, Mascara, 29000, Algeria

    Mohammed El Amine Monir & Hadj Baltach

  2. Material Modeling and Simulation Lab, Department of Physics, Women University of Azad Jammu and Kashmir Bagh, Azad Kashmir, Pakistan

    Hayat Ullah

  3. Laboratoire LPCMME, Université d’Oran 1 Ahmed Benbella, B.P. 1524 EL M’Naouer, 31000, Oran, Algeria

    Younes Mouchaal

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  1. Mohammed El Amine Monir
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  2. Hayat Ullah
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  3. Hadj Baltach
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  4. Younes Mouchaal
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Correspondence to Mohammed El Amine Monir.

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El Amine Monir, M., Ullah, H., Baltach, H. et al. Half-metallic Ferromagnetism in Novel Rh 2 -based Full-Heusler Alloys Rh 2 FeZ (Z = Ga and In). J Supercond Nov Magn 31, 2233–2239 (2018). https://doi.org/10.1007/s10948-017-4499-1

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  • DOI: https://doi.org/10.1007/s10948-017-4499-1

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