{
  "abstract": "A fundamental issue with first principles electronic structure calculation is the requirement for magnetic initialisations, which are usually derived from experimental results. In this paper, we present a new and computationally inexpensive method to predict magnetic structures from first principles, based upon symmetry analysis and a non-magnetic band structure only. We demonstrate that this method of creating initialisations successfully reproduces the known magnetic ground state for a wide class of magnetic materials, including ferromagnetic BCC Fe, antiferromagnetic L1$_0$ PtMn, and frustrated antiferromagnetic L1$_2$ IrMn$_3$, while also predicting non-magnetic materials to remain non-magnetic.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.35081",
  "author_total": 2,
  "authors": [
    {
      "name": "Kit D. Brown"
    },
    {
      "name": "Robert A. Lawrence"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8sdnhb7aj35r7.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.35081",
  "fulltext_url": null,
  "id": "8sdnhb7aj35r7",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.35081",
  "language": null,
  "licence": "CC-BY-NC-ND-4.0",
  "licence_label": "CC BY-NC-ND 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7214744580",
  "pdf_url": "https://arxiv.org/pdf/2609.35081",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-28",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/8sdnhb7aj35r7.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:25:12Z",
      "native_id": "2609.35081",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.35081"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "First Principles Magnetic Initialisation Made Simple",
  "title_text": "First Principles Magnetic Initialisation Made Simple",
  "type": "preprint",
  "updated_at": "2026-10-30T12:25:12Z",
  "url": "https://research.draconitic.com/paper/8sdnhb7aj35r7",
  "venue": "arXiv",
  "versions": []
}