In-plane/out-of-plane disorder influence on the magnetic anisotropy of Fe1-yMnyPt-L10 bulk alloy
The random substitution of a non-magnetic species instead of Fe atoms in FePt-L1 bulk alloy will permit to tune the magnetic anisotropy energy of this material. We have performed by means of first principles calculations a study of Fe MnPt-L1 (y = 0.0, 0.08, 0.12, 0.17, 0.22, and 0.25) bulk alloy fo...
| Authors: | , , , |
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| Format: | article |
| Publication Date: | 2016 |
| Country: | España |
| Institution: | Universitat Autònoma de Barcelona |
| Repository: | Dipòsit Digital de Documents de la UAB |
| Language: | English |
| OAI Identifier: | oai:ddd.uab.cat:216250 |
| Online Access: | https://ddd.uab.cat/record/216250 https://dx.doi.org/urn:doi:10.1063/1.4944534 |
| Access Level: | Open access |
| Keyword: | First-principles calculation Geometric configurations In-plane lattices Lattice variation Magnetic anisotropy energy Mn concentrations Moment modification Random substitution |
| Summary: | The random substitution of a non-magnetic species instead of Fe atoms in FePt-L1 bulk alloy will permit to tune the magnetic anisotropy energy of this material. We have performed by means of first principles calculations a study of Fe MnPt-L1 (y = 0.0, 0.08, 0.12, 0.17, 0.22, and 0.25) bulk alloy for a fixed Pt concentration when the Mn species have ferro-/antiferromagnetic (FM,AFM) alignment at the same(different) atomic plane(s). This substitution will promote several in-plane lattice values for a fixed amount of Mn. Charge hybridization will change compared to the FePt-L1 bulk due to this lattice variation leading to a site resolved magnetic moment modification. We demonstrate that this translates into a total magnetic anisotropy reduction for the AFM phase and an enhancement for the FM alignment. Several geometric configurations were taken into account for a fixed Mn concentration because of different possible Mn positions in the simulation cell. |
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