Electronic and Ferromagnetic Properties of 3<Emphasis Type="Italic">d</Emphasis>(V)-Doped (BaS) Barium Sulfide |
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| Authors: | Zoubida Addadi Bendouma Doumi Allel Mokaddem Mohammed Elkeurti Adlane Sayede Abdelkader Tadjer Fethallah Dahmane |
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| Affiliation: | 1.Laboratoire des Etudes Physico-Chimiques,Université Dr. Tahar Moulay de Sa?da,Sa?da,Algeria;2.Faculty of Sciences, Department of Physics,Dr. Tahar Moulay University of Sa?da,Sa?da,Algeria;3.Theoretical Physics Laboratory,U.S.T.H.B.,Algiers,Algeria;4.Centre Universitaire Nour Bachir El Bayadh,El Bayadh,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-Abbes,Algeria;7.Institut des Sciences et Technologies, Département Sciences de la Matière,Centre Universitaire Tissemsilt,Tissemsilt,Algeria |
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| Abstract: | The objective of this study is to investigate the electronic structure and ferromagnetic properties of barium sulfide (BaS) doped with vanadium (V) impurity. The calculations were performed by using the first-principle calculations of density functional theory. The lattice constant of Ba1?x V x S decreases with increasing concentration (x) of the V atom. We have found that the Ba0.75 V 0.25S and Ba0.5 V 0.5S compounds are half-metallic ferromagnets with total magnetic moments of 3 μ B per V atom, while for high concentration x = 0.75, the Ba0.25 V 0.75S becomes nearly half metallic due to broadening of 3d (V) states in the gap. The exchange coupling between the 3d (V) levels and conduction bands is ferromagnetic, confirming the magnetic nature of Ba1?x V x S compounds. |
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