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Journal of Electronic Materials

, Volume 47, Issue 1, pp 449–456 | Cite as

First-Principle Predictions of Electronic Properties and Half-Metallic Ferromagnetism in Vanadium-Doped Rock-Salt SrO

  • Mohamed BerberEmail author
  • Bendouma DoumiEmail author
  • Allel MokaddemEmail author
  • Yesim Mogulkoc
  • Adlane Sayede
  • Abdelkader Tadjer
Article

Abstract

We have used first-principle methods of density functional theory within the full potential linearized augmented plane wave scheme to investigate the electronic and magnetic properties of cubic rock-salt, SrO, doped with vanadium (V) impurity as Sr1−x V x O at various concentrations, x = 0.25, 0.5, and 0.75. We have found that the ferromagnetic state arrangement of Sr1−x V x O is more stable compared to the anti-ferromagnetic state configuration. The electronic structures have a half-metallic (HM) ferromagnetic (F) behavior for Sr0.75V0.25O and Sr0.5V0.5O. This feature results from the metallic and semiconducting natures of majority-spin and minority-spin bands, respectively. The HMF gap decreases with the increasing concentration of vanadium atoms due to the broadening of 3d (V) levels in the gap, and hence the Sr0.25V0.75O becomes metallic ferromagnetic. The Sr0.75V0.25O revealed a large HM gap with spin polarization of 100%. The Sr1−x V x O compound at low concentrations seems a better candidate to explore the half-metallicity for practical spintronics applications.

Keywords

Electronic structures magnetic properties half-metallic gap ferromagnetic arrangement 

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Copyright information

© The Minerals, Metals & Materials Society 2017

Authors and Affiliations

  1. 1.Centre Universitaire Nour Bachir El BayadhEl BayadhAlgeria
  2. 2.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaidaSaidaAlgeria
  3. 3.Theoretical Physics LaboratoryU.S.T.H.B. AlgiersBab EzzouarAlgeria
  4. 4.Department of Engineering Physics, Faculty of EngineeringAnkara UniversityTandoganTurkey
  5. 5.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des SciencesUniversité d’ArtoisLensFrance
  6. 6.Modelling and Simulation in Materials Science Laboratory, Physics DepartmentDjillali Liabes University of Sidi Bel-AbbesSidi Bel AbbèsAlgeria

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