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Large magnetic anisotropy in Co-Fe-Ni-N ordered structures: a first-principles study
1Department of Physics, National Institute of Technology Nagaland, Dimapur, Nagaland-797103, India.
Abstract:
Material design of promising rare-earth free permanent magnet requires tailoring and controlling the intrinsic magnetic properties namely large saturation magnetizationμ0Ms, giant uniaxial magnetic anisotropyKu, and high Curie temperatureTC. Based on first-principles electronic structure calculations, we present a detailed analysis for the intrinsic magnetic properties of CoFe1-Ni and CoFe1-NiN0.25ordered structures. We predict an enhanced structural stability with improvedKuranging from 1.53-2.29 MJ m-3for CoFe1-NiN0.25ordered structures, with the exception of CoNiN0.25having planar anisotropy. Detailed analysis of the predicted largeKu, based on perturbation theory and electronic structure calculations, is attributed to the cumulative effect of contribution from the increased tetragonal distortion and induced orbital distortion from the simultaneous Co substitution and interstitial N-doping. By tailoring theKu, we may create efficient and affordable PMs, bridging the gap between commonly used ferrite and high-performance Nd-Fe-B magnets.
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