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First-principle calculations of electronic and ferromagnetic properties of \(\hbox {Al}_{1-x}\hbox {V}_{x}\hbox {Sb}\)

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Abstract

We have used the first-principle calculations of density functional theory within full-potential linearized augmented plane-wave method to investigate the electronic and ferromagnetic properties of \(\hbox {Al}_{1-x}\hbox {V}_{x}\hbox {Sb}\) alloys. The electronic structures of \(\hbox {Al}_{0.25}\hbox {V}_{0.75}\hbox {Sb}, \hbox {Al}_{0.5}\hbox {V}_{0.5}\hbox {Sb}\) and \(\hbox {Al}_{0.75}\hbox {V}_{0.25}\hbox {Sb}\) exhibit a half-metallic ferromagnetic character with spin polarization of 100 %. The total magnetic moment per V atom for each compound is integral Bohr magneton of 2 \(\mu _{\mathrm{B}}\), confirming the half-metallic feature of \(\hbox {Al}_{1-x}\hbox {V}_{x}\hbox {Sb}\). Therefore, these materials are half-metallic ferromagnets useful for possible spintronics applications.

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Authors and Affiliations

  1. Laboratoire des Etudes Physico-Chimiques, Université de Saïda, 20000, Saida, Algeria

    Asmaa Zerouali & Mohammed Elkeurti

  2. Department of Materials and Components, Faculty of Physics, U.S.T.H.B., Algiers, Algeria

    Allel Mokaddem

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

    Bendouma Doumi

  4. Département Sciences de la Matière, Institut des Sciences et Technologies, Centre Universitaire Tissemsilt, 38000, Tissemsilt, Algeria

    Fethallah Dahmane

  5. Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des Sciences, Université d’Artois, Rue Jean Souvraz, SP 18, 62307, Lens, France

    Adlane Sayede

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

    Abdelkader Tadjer

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  1. Asmaa Zerouali
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Zerouali, A., Mokaddem, A., Doumi, B. et al. First-principle calculations of electronic and ferromagnetic properties of \(\hbox {Al}_{1-x}\hbox {V}_{x}\hbox {Sb}\) . J Comput Electron 15, 1255–1262 (2016). https://doi.org/10.1007/s10825-016-0912-4

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