Metastable B-doped FeNi compounds for permanent magnets without rare earths

Masahiro Sakurai and James R. Chelikowsky
Phys. Rev. Materials 4, 084402 – Published 4 August 2020

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 L10-ordered structures. The calculated magnetocrystalline anisotropy constants of 12 MJ/m3 along with sufficient magnetic polarization saturation (1 T) show the potential of our metastable Fe-Ni-B compounds for replacing rare-earth-based magnets in permanent-magnet applications.

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  • Received 16 October 2019
  • Revised 21 April 2020
  • Accepted 14 July 2020

DOI:https://doi.org/10.1103/PhysRevMaterials.4.084402

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Masahiro Sakurai1,* and James R. Chelikowsky1,2,3

  • 1Center for Computational Materials, Oden Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712, USA
  • 2McKetta Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, USA
  • 3Department of Physics, The University of Texas at Austin, Austin, Texas 78712, USA

  • *masahiro@ices.utexas.edu

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Vol. 4, Iss. 8 — August 2020

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