Abstract
We apply first-principles calculations to metastable B-doped Fe-Ni compounds to compute their magnetic properties. We focus on crystal structures with tetragonal and orthorhombic lattices. Boron atoms, doped at interstitial sites, help in stabilizing noncubic Fe-Ni structures. At the same time, the dopants improve the magnetic properties, such as magnetocrystalline anisotropy, compared to FeNi alloys in the tetragonal -ordered structures. The calculated magnetocrystalline anisotropy constants of along with sufficient magnetic polarization saturation show the potential of our metastable Fe-Ni-B compounds for replacing rare-earth-based magnets in permanent-magnet applications.
- Received 16 October 2019
- Revised 21 April 2020
- Accepted 14 July 2020
DOI:https://doi.org/10.1103/PhysRevMaterials.4.084402
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