{
  "abstract": "Achieving uniaxial magnetocrystalline anisotropy while preserving high magnetization and thermal stability remains a central challenge in the development of Fe-rich permanent magnets. YFe$_3$ is a promising candidate owing to its saturation magnetization and Curie temperature, but its intrinsic easy-plane anisotropy limits its potential for permanent-magnet applications. Here, we show that selective transition-metal substitution drives an easy-plane-to-easy-axis transition in YFe$_3$. Systematic first-principles screening identifies V, Nb, and Ta as effective dopants, with YFe$_{2.33}$Ta$_{0.67}$ exhibiting a large uniaxial magnetocrystalline anisotropy energy of 2.3~MJ/m$^{3}$. Calculated exchange interactions and atomistic Monte Carlo simulations show that the enhanced anisotropy is achieved while preserving robust ferromagnetic order and high thermal stability. Micromagnetic simulations further reveal that YFe$_{2.33}$Ta$_{0.67}$ exhibits the highest coercivity and strongest resistance to irreversible demagnetization, whereas YFe$_{2.33}$V$_{0.67}$ achieves a comparable maximum energy product at 300~K. Experimental characterization of V-alloyed YFe$_3$ shows that the YFe$_3$ phase can be retained at low nominal V concentrations (1-3 at.\\%) under the employed synthesis and heat-treatment conditions, whereas higher V contents lead to increasingly multiphase samples. Concentration-dependent MAE calculations reveal a sign reversal between approximately 11 and 14~at.\\% V, marking the transition from easy-plane to uniaxial easy-axis anisotropy. Consistent with this concentration dependence, electron backscatter diffraction and Kerr microscopy reveal in-plane magnetic domain structures in the experimentally accessible low-V regime. Therefore, our work offers a promising approach to tuning the magnetocrystalline anisotropy of YFe$_3$ while retaining high Curie temperatures.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.18303",
  "author_total": 16,
  "authors": [
    {
      "name": "M. Nur Hasan"
    },
    {
      "name": "Bruno L. Fertig"
    },
    {
      "name": "Santa Pile"
    },
    {
      "name": "Rafael M. Vieira"
    },
    {
      "name": "Alena Vishina"
    },
    {
      "name": "Alexander Kovacs"
    },
    {
      "name": "Gotthard Rieger"
    },
    {
      "name": "Stefan Denneler"
    },
    {
      "name": "Samuel J. R. Holt"
    },
    {
      "name": "Martin Lang"
    },
    {
      "name": "Swapneel Pathak"
    },
    {
      "name": "Andrea Petrocchi"
    },
    {
      "name": "Hans Fangohr"
    },
    {
      "name": "Thomas George Woodcock"
    },
    {
      "name": "Thomas Schrefl"
    },
    {
      "name": "Heike C. Herper"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/3fbptraesasb9.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.18303",
  "fulltext_url": null,
  "id": "3fbptraesasb9",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.18303",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "openalex",
      "2504|Magnetic Properties of Alloys"
    ]
  ],
  "openalex": "W7221823172",
  "pdf_url": "https://arxiv.org/pdf/2610.18303",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-13",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/3fbptraesasb9.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:29:11Z",
      "native_id": "2610.18303",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.18303"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Transition-Metal-Induced Uniaxial Anisotropy in YFe$_3$",
  "title_text": "Transition-Metal-Induced Uniaxial Anisotropy in YFe_3",
  "type": "preprint",
  "updated_at": "2026-10-30T12:29:11Z",
  "url": "https://research.draconitic.com/paper/3fbptraesasb9",
  "venue": "arXiv",
  "versions": []
}