{
  "abstract": "Proximity effects in layered heterostructures are commonly represented by static parameters fitted to first-principles band structures, an approximation that usually discards the energy dependence of interlayer hybridization, momentum transfer, and spatial structure. We address this limitation by deriving a dynamical proximity operator directly from density functional theory by downfolding the heterostructure Kohn-Sham Hamiltonian onto a fixed low-energy target Wannier subspace. We demonstrate the method for three different graphene heterostructures coupled to magnetic and semiconducting substrates. Graphene/hBN/Co(0001) exhibits proximity-induced exchange resonances driven by hybridization with Co states. Graphene/PtSe$_2$ develops a sublattice-selective, intervalley-coherent, proximity-induced coupling. For graphene/WSe$_2$, we identify the spatial modulation of both Rashba and valley-Zeeman proximity-induced spin-orbit couplings. The method determines the full microscopic structure of the proximity coupling from first principles, providing input for transport and correlated-phase calculations.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2607.25690",
  "author_total": 5,
  "authors": [
    {
      "name": "Yaroslav Zhumagulov"
    },
    {
      "name": "Johan Félisaz"
    },
    {
      "name": "Stepan S. Tsirkin"
    },
    {
      "name": "Denis Kochan"
    },
    {
      "name": "Oleg V. Yazyev"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/5ec61m5046y61.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2607.25690",
  "fulltext_url": null,
  "id": "5ec61m5046y61",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2607.25690",
  "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.mes-hall"
    ],
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "arxiv",
      "physics.comp-ph"
    ],
    [
      "openalex",
      "2505|2D Materials and Applications"
    ]
  ],
  "openalex": "W7171705078",
  "pdf_url": "https://arxiv.org/pdf/2607.25690",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-25",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/5ec61m5046y61.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:35:35Z",
      "native_id": "2607.25690",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2607.25690"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mes-hall",
      "subfield": "condensed-matter"
    }
  ],
  "title": "First-Principles Wannier Representation of Proximity Effects",
  "title_text": "First-Principles Wannier Representation of Proximity Effects",
  "type": "preprint",
  "updated_at": "2026-10-30T12:35:35Z",
  "url": "https://research.draconitic.com/paper/5ec61m5046y61",
  "venue": "arXiv",
  "versions": []
}