{
  "abstract": "A microscopic understanding of topological superconductivity (TSC) in real materials requires a materials-informed approach that integrates first-principles electronic structure, superconductivity, and topology within a unified computational framework. Here, we develop such an approach by combining density functional theory, Wannier-based low-energy Hamiltonians, Bogoliubov-de Gennes theory, and Matsubara Green's-function-based Chern number calculations performed directly on realistic multiorbital superconducting Hamiltonians. We apply this framework to bulk-like and monolayer FeTeSe and to FeSe/GaAs heterostructures, enabling a unified investigation of both intrinsic and proximity-induced topological superconductivity. We identify key electronic-structure ingredients that promote robust TSC, including Rashba-active states near the Fermi level, strong induced superconducting pairing, and substantial orbital hybridization between spin-orbit-active and superconducting sectors. Guided by these design principles, we predict multiple topological superconducting phases in Fe-based materials and demonstrate that FeSe/GaAs heterostructures are particularly promising, exhibiting topological transitions at experimentally accessible chemical potentials and low Zeeman fields. Complementing the theoretical predictions, we demonstrate the growth and structural characterization of FeSe/GaAs heterostructures, establishing the experimental feasibility of the proposed materials platform. Our results provide a quantitative route for engineering and screening candidate Majorana materials and heterostructures directly from realistic electronic structures and establish a foundation for future materials-by-design approaches to topological superconductivity.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.10381",
  "author_total": 7,
  "authors": [
    {
      "name": "Christopher L. Jacobs"
    },
    {
      "name": "Baishali Mandal"
    },
    {
      "name": "Taehwan Jung"
    },
    {
      "name": "Purna P. Paudel"
    },
    {
      "name": "Jason Kawasaki"
    },
    {
      "name": "Tudor D. Stanescu"
    },
    {
      "name": "Subhasish Mandal"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/dg40jdapcqsy3.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.10381",
  "fulltext_url": null,
  "id": "dg40jdapcqsy3",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.10381",
  "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.supr-con"
    ],
    [
      "openalex",
      "3107|Topological Materials and Phenomena"
    ]
  ],
  "openalex": "W7212169490",
  "pdf_url": "https://arxiv.org/pdf/2609.10381",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-09",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/dg40jdapcqsy3.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:20:12Z",
      "native_id": "2609.10381",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.10381"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.supr-con",
      "subfield": "condensed-matter"
    }
  ],
  "title": "A First-Principles Multiscale Framework for Topological Superconductivity",
  "title_text": "A First-Principles Multiscale Framework for Topological Superconductivity",
  "type": "preprint",
  "updated_at": "2026-10-30T12:20:12Z",
  "url": "https://research.draconitic.com/paper/dg40jdapcqsy3",
  "venue": "arXiv",
  "versions": []
}