• Gd impurities effect on Co$_2$CrSi alloy: first-principle calculations

• # Fulltext

https://www.ias.ac.in/article/fulltext/boms/041/01/0002

• # 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

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

• # Bulletin of Materials Science

Volume 43, 2020
All articles
Continuous Article Publishing mode

• # Editorial Note on Continuous Article Publication

Posted on July 25, 2019