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    • Keywords

       

      Half-metallic; spin polarization; Heusler alloys.

    • Abstract

       

      First-principle calculations have been performed to study Gd impurities doping effect on the physical propertiesof the Heusler half-metallic ferromagnet Co$_2$CrSi using the density functional theory in the local spin density approximationwith an additional Hubbard correlation term for the rare-earth 4f states. The results show that the gadolinium moment isaligned antiparallel to that of transition metal atoms for both Co$_{16}$Cr$_7$GdSi$_8$ and Co$_{15}GdCr$_8$Si$_8$. The analysis of the doped material band structures shows that the half-metallic properties are completely conserved if Gd substitutes Cr atoms, while the minority-spin gap is filled and half-metallicity is lost when Gd substitutes Co atoms.

    • Author Affiliations

       

      I E YAHIAOUI1 A LAZREG1 Z DRIDI1 Y AL-DOURI2 3 B BOUHAFS1

      1. Modelling and Simulation in Materials Science Laboratory, Department of Physics, University of Sidi Bel-Abbes, 22000 Sidi-Bel-Abbes, Algeria
      2. Nanotechnology and Catalysis Research Center (NANOCAT), University of Malaya, 50603 Kuala Lumpur, Malaysia
      3. Department of Physics, Faculty of Science, University of Sidi-Bel-Abbes, 22000 Sidi-Bel-Abbes, Algeria
    • Dates

       
  • Bulletin of Materials Science | News

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