{
  "abstract": "The origin of chirality-induced spin selectivity (CISS) remains elusive, and ultrahigh spin polarization (SP) in topologically knotted molecules is unexplained. We develop a discrete geometric spin-orbit coupling (SOC) framework for molecular junctions, resolving site-specific curvature and current-partition effects beyond continuous models. For trefoil-knot molecules, it quantifies site-resolved geometric SOC, reaching $\\sim$120 meV, nearly two orders of magnitude larger than intrinsic SOC of light atoms. The substrate-coupled benzene unit, carrying the largest current and remarkable geometric SOC, dominates the CISS effect. The framework quantitatively reproduces measured SP, temperature-dependent magnetoresistance (MR) and $Δ$MR trends, establishing discrete geometric SOC as a predictive tool for CISS in topologically knotted molecules.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.01732",
  "author_total": 4,
  "authors": [
    {
      "name": "Xi Sun"
    },
    {
      "name": "Shu-Zheng Zhou"
    },
    {
      "name": "Kai-Yuan Zhang"
    },
    {
      "name": "Hua-Hua Fu"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/45bzwb95hxeqj.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.01732",
  "fulltext_url": null,
  "id": "45bzwb95hxeqj",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.01732",
  "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.mtrl-sci"
    ],
    [
      "openalex",
      "2208|Molecular Junctions and Nanostructures"
    ]
  ],
  "openalex": "W7216419095",
  "pdf_url": "https://arxiv.org/pdf/2610.01732",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/45bzwb95hxeqj.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:26:03Z",
      "native_id": "2610.01732",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.01732"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Theory of Chirality-Induced Spin Selectivity in Trefoil-knot Molecules",
  "title_text": "Theory of Chirality-Induced Spin Selectivity in Trefoil-knot Molecules",
  "type": "preprint",
  "updated_at": "2026-10-30T12:26:03Z",
  "url": "https://research.draconitic.com/paper/45bzwb95hxeqj",
  "venue": "arXiv",
  "versions": []
}