{
  "abstract": "Establishing the microscopic origin of localized emission in two-dimensional materials through consistent agreement between experiment and theory remains challenging. Recent STM/STS-STML measurements assigned an emission near 1.8 eV in monolayer MoS$_2$/hBN(2L)/graphene to the negatively charged CH$_\\mathrm{S}^{-}$ defect. However, a comprehensive theoretical description of this emitter is still lacking. Here, we develop such a description and systematically investigate the photophysical properties of CH$_\\mathrm{S}^{-}$ in monolayer MoS$_2$, two bilayer configurations, and a MoS$_2$/hBN heterostructure. The defect retains a similar local geometry and favors a singlet ground state in all four environments, whereas its electronic transition, zero-phonon line, electron-phonon coupling, radiative lifetime, and transition-dipole orientation depend strongly on the surrounding layers. The isolated-monolayer model exhibits substantial structural reorganization and produces a broad, dominant phonon sideband that is inconsistent with experiment. Adding an adjacent layer, either MoS$_2$ or hBN, substantially suppresses the phonon sideband, with only a minor dependence on the defect position in bilayer MoS$_2$. In particular, the MoS$_2$/hBN model yields a weak phonon sideband and closely reproduces the experimental photoluminescence lineshape. Our results thus provide the first theoretical agreement of CH$_\\mathrm{S}^{-}$ emission and further reveal the role of adjacent layers in determining the electronic, vibronic, and optical properties of the quantum emitters in two-dimensional materials.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.12283",
  "author_total": 2,
  "authors": [
    {
      "name": "Chanaprom Cholsuk"
    },
    {
      "name": "Tobias Vogl"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/f1trs01je5d9f.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.12283",
  "fulltext_url": null,
  "id": "f1trs01je5d9f",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.12283",
  "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"
    ],
    [
      "arxiv",
      "quant-ph"
    ],
    [
      "openalex",
      "2505|2D Materials and Applications"
    ]
  ],
  "openalex": "W7221065746",
  "pdf_url": "https://arxiv.org/pdf/2610.12283",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-08",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/f1trs01je5d9f.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:27:54Z",
      "native_id": "2610.12283",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.12283"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    },
    {
      "field": "physics",
      "origin": "arxiv:quant-ph",
      "subfield": "quantum"
    }
  ],
  "title": "Theory of the CH$_\\text{S}^-$ Defect in MoS$_2$ Confirming the Origin of the Quantum Emission",
  "title_text": "Theory of the CH_S^- Defect in MoS_2 Confirming the Origin of the Quantum Emission",
  "type": "preprint",
  "updated_at": "2026-10-30T12:27:54Z",
  "url": "https://research.draconitic.com/paper/f1trs01je5d9f",
  "venue": "arXiv",
  "versions": []
}