First-principle calculations of electronic and ferromagnetic properties of $$\hbox {Al}_{1-x}\hbox {V}_{x}\hbox {Sb}$$ |
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| Authors: | Asmaa Zerouali Allel Mokaddem Bendouma Doumi Fethallah Dahmane Mohammed Elkeurti Adlane Sayede Abdelkader Tadjer |
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| Affiliation: | 1.Laboratoire des Etudes Physico-Chimiques,Université de Sa?da,Saida,Algeria;2.Department of Materials and Components, Faculty of Physics,U.S.T.H.B.,Algiers,Algeria;3.Department of Physics, Faculty of Sciences,Dr. Tahar Moulay University of Sa?da,Saida,Algeria;4.Département Sciences de la Matière, Institut des Sciences et Technologies,Centre Universitaire Tissemsilt,Tissemsilt,Algeria;5.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des Sciences, Université d’Artois,Lens,France;6.Modelling and Simulation in Materials Science Laboratory, Physics Department,Djillali Liabes University of Sidi Bel-Abbes,Sidi Bel-Abbés,Algeria |
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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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