New Co-Fe-N Magnetic Compounds Found Through Combined Computational and Experimental Methods

ORAL

Abstract

A combined search using computational and non-equilibrium cluster-deposition methods has been efficient in accelerating the discovery of new magnetic materials with high magnetocrystalline anisotropy K1, large saturation magnetic polarization Js, and high Curie Temperature Tc [1, 2]. Here we present the structure and magnetism of new compounds created by incorporating nitrogen and/or silicon in the interstitial or substitutional occupancies of Co, Fe, and FeCo. The search found a set of Fe-Co-N compounds having promising magnetic properties, including tetragonal Fe8Co8N2 that exhibits K1 = 16 Mergs/cm3, Js = 17.6 kG, and Tc ≈ 650 K. The prospects of new rare-earth magnetic compounds for energy and information storage applications will be discussed.
References
[1] B. Balasubramanian, M. Sakurai, C.-Z. Wang, X. Xu, K.-M. Ho, Chelikowsky, and D.J. Sellmyer Mol. Syst. Des. Eng., 5, 1098 (2020).
[2] M. Sakurai et al. Discovering rare-earth-free magnetic materials through the development of a database, Phys. Rev. Mater. (in press).

*This research is supported by the NSF-DMREF: SusChEM under the award numbers 1729288 and 1729677, NSF-ECCS: 2025298, and NCMN-NRI.

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Presenters

  • Balamurugan Balasubramanian

    • Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln
    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska - Lincoln
    • University of Nebraska - Lincoln
    • Department of Physics and Astronomy, University of Nebraska-Lincoln

Authors

  • Balamurugan Balasubramanian

    • Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln
    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska - Lincoln
    • University of Nebraska - Lincoln
    • Department of Physics and Astronomy, University of Nebraska-Lincoln

  • Rabindra Pahari

    • Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln
    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska - Lincoln
    • University of Nebraska - Lincoln
    • Department of Physics and Astronomy, University of Nebraska-Lincoln

  • Cai-Zhuang Wang

    • Ames Laboratory, U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University
    • Iowa State University
    • Dept. of Physics and Astronomy, Iowa State University
    • Ames Laboratory and Iowa State University
    • Department of Physics, Iowa State University

  • Xiaoshan Xu

    • Physics & Astronomy, University of Nebraska-Lincoln
    • Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln
    • University of Nebraska-Lincoln
    • University of Nebraska - Lincoln
    • Department of Physics and Astronomy, University of Nebraska - Lincoln
    • Physics and Astronomy, University of Nebraska-Lincoln

  • Kai-Ming Ho

    • Ames Laboratory, U.S. Department of Energy and Department of Physics and Astronomy, Iowa State University
    • Iowa State University/AmesLab
    • Ames Laboratory and Iowa State University
    • Department of Physics, Iowa State University
    • Iowa State University

  • David J Sellmyer

    • Nebraska Center for Materials and Nanoscience and Department of Physics and Astronomy, University of Nebraska - Lincoln
    • University of Nebraska-Lincoln
    • Department of Physics and Astronomy and Nebraska Center for Materials and Nanoscience, University of Nebraska - Lincoln
    • University of Nebraska - Lincoln
    • Department of Physics and Astronomy, University of Nebraska-Lincoln