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First-principle investigation of half-metallic ferromagnetism in octahedrally bonded Cr-doped rock-salt SrS, SrSe, and SrTe

  • Bendouma Doumi
  • Allel Mokaddem
  • Lahouari Temimi
  • Nadir Beldjoudi
  • Mohammed Elkeurti
  • Fethallah Dahmane
  • Adlane Sayede
  • Abdelkader Tadjer
  • Mustapha Ishak-Boushaki
Regular Article

Abstract

We have investigated the electronic structure and half-metallic ferromagnetism of Sr1−x Cr x Z (Z = S, Se, and Te) in rock-salt structure at concentrations x (x = 0.125, 0.25, 0.5, 0.75 and 0.875) of Cr, using first-principles calculations of density functional theory. The electronic and magnetic properties show that Sr1−x Cr x Z (Z = S and Se) at x = 0.125, 0.25, 0.5, 0.75 and Sr1−x Cr x Te at all concentrations are half-metallic ferromagnets (HMF) with spin polarization of 100% and total magnetic moments of 4μ B  per Cr atom, whereas the HMF character destroyed for Sr1−x Cr x Z (Z = S and Se) at x = 0.875. The integrals Bohr magneton of total magnetic moments confirm the half-metallic ferromagnetic behavior of Sr1−x Cr x Z. We have found that the ferromagnetic state is stable by the 3d-eg (Cr) partially filled states associated with the double-exchange mechanism. Therefore, the Sr1−x Cr x S, Sr1−x Cr x Se, and Sr1−x Cr x Te at low concentration are predicted to be new potential candidates for spintronic applications.

Keywords

Computational Methods 

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2015

Authors and Affiliations

  • Bendouma Doumi
    • 1
    • 2
  • Allel Mokaddem
    • 3
  • Lahouari Temimi
    • 4
  • Nadir Beldjoudi
    • 5
  • Mohammed Elkeurti
    • 1
  • Fethallah Dahmane
    • 2
    • 6
  • Adlane Sayede
    • 7
  • Abdelkader Tadjer
    • 2
  • Mustapha Ishak-Boushaki
    • 8
  1. 1.Faculty of Sciences, Department of PhysicsDr. Tahar Moulay University of SaïdaSaïdaAlgeria
  2. 2.Modelling and Simulation in Materials Science Laboratory, Physics DepartmentDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria
  3. 3.Faculty of Physics, Department of Materials and ComponentsU.S.T.H.B.AlgiersAlgeria
  4. 4.Mohamed Boudiaf University of Science and Technology of OranOranAlgeria
  5. 5.Faculty of Physics, Theoretical Physics LaboratoryU.S.T.H.BAlgiersAlgeria
  6. 6.Institut des Sciences et Technologies, Département sciences de la matièreCentre Universitaire de TissemsiltTissemsiltAlgeria
  7. 7.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des SciencesUniversité d’ArtoisLensFrance
  8. 8.Faculty of PhysicsU.S.T.H.B.AlgiersAlgeria

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