Journal of Computational Electronics

, Volume 16, Issue 3, pp 542–547 | Cite as

Investigation of electronic structure and half-metallic ferromagnetic behavior with large half-metallic gap in \(\hbox {Sr}_{1-x}\hbox {V}_{x}\hbox {O}\)

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


In this study, we investigate the electronic structure and magnetic properties of V-doped rock-salt SrO as a \(\hbox {Sr}_{1-x}\hbox {V}_{x}\hbox {O}\) ternary compound at concentration \(x = 0.25\) by the use of first-principle calculations of density functional theory using the full potential linearized augmented plane wave method. The electronic structures of \(\hbox {Sr}_{0.75}\hbox {V}_{0.25}\hbox {O}\) have a half-metallic character due to the metallic nature of majority-spin states and semiconducting features of minority-spin states. From results of the magnetic properties, we have found that the \(\hbox {Sr}_{0.75}\hbox {V}_{0.25}\hbox {O}\) has a total magnetic moment of \(3\,\mu _{\mathrm{B}}\) and the pd exchange coupling is ferromagnetic between V magnetic impurity and the host carriers of O atoms. The \(\hbox {Sr}_{0.75}\hbox {V}_{0.25}\hbox {O}\) compound exhibits a wide half-metallic gap of 1.00 eV; this factor is a fundamental characteristic of half-metallic ferromagnetic materials for spintronics applications.


Electronic properties pd Exchange interaction Magnetic moments Half-metallic ferromagnetism 


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© Springer Science+Business Media, LLC 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.AlgiersAlgeria
  4. 4.Faculty of Engineering, Department of Engineering PhysicsAnkara 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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