Yahiaoui, I.E. and Lazreg, Abbassia and Dridi, Z. and Al-Douri, Yarub and Bouhafs, Bachir (2018) Gd impurities effect on $$\hbox {Co}_{2}\hbox {CrSi}$$ Co 2 CrSi alloy: first-principle calculations. Bulletin of Materials Science, 41 (1). p. 2. ISSN 0250-4707, DOI https://doi.org/10.1007/s12034-017-1516-8.
Full text not available from this repository.Abstract
First-principle calculations have been performed to study Gd impurities doping effect on the physical properties of the Heusler half-metallic ferromagnet Co 2CrSi using the density functional theory in the local spin density approximation with an additional Hubbard correlation term for the rare-earth 4f states. The results show that the gadolinium moment is aligned antiparallel to that of transition metal atoms for both Co 16Cr 7GdSi 8 and Co 15GdCr 8Si 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.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | Half-metallic; Heusler alloys; spin polarization |
| Subjects: | Q Science > Q Science (General) Q Science > QC Physics |
| Divisions: | Nanotechnology & Catalysis Research Centre |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 15 Feb 2019 08:09 |
| Last Modified: | 15 Feb 2019 08:09 |
| URI: | http://eprints.um.edu.my/id/eprint/20333 |
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