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Journal of Superconductivity and Novel Magnetism

, Volume 28, Issue 1, pp 157–164 | Cite as

Investigations of Electronic Structure and Half-Metallic Ferromagnets in Cr-Doped Zinc-Blende BeS Semiconductor

  • A. Mokaddem
  • B. Doumi
  • A. Sayede
  • D. Bensaid
  • A. Tadjer
  • M. Boutaleb
Original Paper

Abstract

First-principle calculations within the framework of density functional theory are employed to study the electronic and half-metallic ferromagnetic properties of Be1−x Cr x S at concentrations x = 0.0625, 0.125, and 0.25 in zinc-blende phase. The calculations of electronic and magnetic properties reveal that Be1−x Cr x S is a half-metallic (HM) ferromagnet with 100 % spin polarization and HM gap. On the other hand, for the majority-spin states, the strong hybridization between 3 p (S) and the 3 d- t 2g (Cr) partially filled states dominates the gap and this stabilizes the ferromagnetic ground state associated with double-exchange mechanism, while the total magnetization is an integer Bohr magneton of 4 u B that confirms the half-metallic behavior of Be1−x Cr x S compounds. Therefore, the chrome-doped beryllium sulfide (BeS) seems to be a potential candidate for spin injection in the field of spintronic applications.

Keywords

Spintronics Electronic structures Half-metallic ferromagnetism Cr-doped BeS 

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • A. Mokaddem
    • 1
  • B. Doumi
    • 2
    • 3
  • A. Sayede
    • 4
  • D. Bensaid
    • 5
  • A. Tadjer
    • 3
  • M. Boutaleb
    • 3
  1. 1.Faculty of Physics, Department of Materials and ComponentsU.S.T.H.B.AlgiersAlgeria
  2. 2.Faculty of Sciences, Department of PhysicsDr Tahar Moulay University of SaïdaSaïdaAlgeria
  3. 3.Modelling and Simulation in Materials Science Laboratory, Physics DepartmentDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria
  4. 4.Unité de Catalyse et Chimie du Solide (UCCS), UMR CNRS 8181, Faculté des SciencesUniversité d’ArtoisLensFrance
  5. 5.Laboratory Physico-Chemistry of Advanced MaterialsDjillali Liabes University of Sidi Bel-AbbesSidi Bel-AbbesAlgeria

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