Abstract
By performing comprehensive first-principles calculations, we study the hard magnetic properties of Ce2Co17 and Ce2Fe17 under Zr doping with varying Co concentrations, given the substantial experimental success of Zr in improving the magnetic anisotropy energy (MAE) in Ce2Co17 and Sm2Co17. We find that the magnetic properties of these alloys become comparable to state-of-the-art magnetic materials by doping with two elements, Zr and Fe, with potential-energy products BHmax of 40 MG Oe. The Zr substitution is particularly helpful for improving the MAE, leading to a magnetic hardness parameter K1/μ0Ms2 that significantly exceeds unity for a substantial range of Co concentrations (between 60% and 100% of the 3d-element concentration). The calculated MAE exhibits a strong dependence on the Co concentration, indicative of a likely valence fluctuation with Co alloying, and shows a maximum value of 7.78 MJ/m3 for 60% Co doping. Thus, upon experimental verification, these alloys may become competitors to the better-known permanent-magnet materials Nd2Fe14B and SmCo5.
Original language | English |
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Article number | 034039 |
Journal | Physical Review Applied |
Volume | 13 |
Issue number | 3 |
DOIs | |
State | Published - Feb 2020 |
Funding
This research was supported by the Critical Materials Institute, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The U.S. Government retains and the publisher, by accepting the article for publication, acknowledges that the U.S. Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes.