{
  "abstract": "External magnetic fields can qualitatively reshape the electronic structure of crystals, underpinning quantum Hall physics, Landau-level spectra and field-induced topological phases. Their first-principles treatment at laboratory-scale fields is, however, hindered by magnetic-flux quantization, which requires magnetic unit cells with areas inversely proportional to the applied field. Such cells contain a large number of chemical unit cells, rendering real-space and plane-wave calculations prohibitively expensive. Here we, for the first time, construct a magnetic Bloch basis built from linear combinations of gauge-including Gaussian-type atomic orbitals, which incorporate the magnetic-field phase factors required by magnetic translation symmetry. The framework requires far fewer basis functions than real-space or plane-wave representations of the same magnetic supercell and retains the sparsity of an atom-centred basis, together substantially reducing computational cost. We validate the framework by reproducing Landau-level spectrum of graphene from first principles. This approach provides a practical route to simulations of crystalline materials under experimentally accessible magnetic fields.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.01053",
  "author_total": 5,
  "authors": [
    {
      "name": "Sichao Wang"
    },
    {
      "name": "Chengye Lü"
    },
    {
      "name": "Xingao Gong"
    },
    {
      "name": "Yingwei Chen"
    },
    {
      "name": "Hongjun Xiang"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/4e2ag64ye9eec.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.01053",
  "fulltext_url": null,
  "id": "4e2ag64ye9eec",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.01053",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7206195983",
  "pdf_url": "https://arxiv.org/pdf/2609.01053",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/4e2ag64ye9eec.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:00Z",
      "native_id": "2609.01053",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.01053"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "First-Principles Electronic Structure Calculation of Crystals in Laboratory Magnetic Fields",
  "title_text": "First-Principles Electronic Structure Calculation of Crystals in Laboratory Magnetic Fields",
  "type": "preprint",
  "updated_at": "2026-10-30T12:18:00Z",
  "url": "https://research.draconitic.com/paper/4e2ag64ye9eec",
  "venue": "arXiv",
  "versions": []
}