{
  "abstract": "Magnetic ground states are commonly predicted using spin Hamiltonians whose interaction terms are selected a priori, potentially overlooking the microscopic interactions that govern complex magnetic order. Here, we introduce a general framework for the unbiased first-principles construction of symmetry-complete tensorial spin Hamiltonians and its automated implementation in AMATIS. The framework constructs the Hamiltonian directly from density-functional theory while rigorously enforcing quantum spin algebra and crystallographic symmetry. Applied to representative two-dimensional van der Waals magnets, the framework reproduces established magnetic interactions and uncovers hidden physics beyond conventional spin models, including chiral interactions that stabilize metastable skyrmions, higher-rank tensorial interactions that reconstruct the magnetic phase diagram and establish stabilizing competing multi-Q phases, and an emergent p-wave altermagnetic electronic structure. Our results demonstrate that unbiased tensorial Hamiltonian construction provides a predictive alternative to the conventional practice of manually selecting spin-model interactions, enabling first-principles discovery of unconventional magnetic phases.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.13912",
  "author_total": 6,
  "authors": [
    {
      "name": "Haichang Lu"
    },
    {
      "name": "Boyang Deng"
    },
    {
      "name": "Hiroshi Katsumoto"
    },
    {
      "name": "John Robertson"
    },
    {
      "name": "Weisheng Zhao"
    },
    {
      "name": "Stefan Blügel"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/davjm3kf4ybsk.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.13912",
  "fulltext_url": null,
  "id": "davjm3kf4ybsk",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.13912",
  "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"
    ],
    [
      "arxiv",
      "physics.comp-ph"
    ],
    [
      "openalex",
      "3104|Advanced Condensed Matter Physics"
    ]
  ],
  "openalex": "W7213275594",
  "pdf_url": "https://arxiv.org/pdf/2609.13912",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-12",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/davjm3kf4ybsk.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:21:25Z",
      "native_id": "2609.13912",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.13912"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Unbiased first-principles construction of complete tensorial spin Hamiltonians",
  "title_text": "Unbiased first-principles construction of complete tensorial spin Hamiltonians",
  "type": "preprint",
  "updated_at": "2026-10-30T12:21:25Z",
  "url": "https://research.draconitic.com/paper/davjm3kf4ybsk",
  "venue": "arXiv",
  "versions": []
}