{
  "abstract": "Monolayer tin selenide (SnSe) exhibits phase-dependent anharmonic lattice dynamics, yet their consequences for the thermoelectric power factor (PF) and point-defect tolerance remain unresolved. We combine density functional theory, the stochastic self-consistent harmonic approximation (SSCHA), and Boltzmann transport calculations including electron-phonon and electron-defect scattering to investigate monolayer $α$-SnSe (Pnma) and $β$-SnSe (Cmcm). In dynamically stable $α$-SnSe, SSCHA renormalizes the finite-temperature phonons without changing the qualitative n-type transport picture. In $β$-SnSe, SSCHA removes the harmonic soft-mode instability of the Cmcm phase at 800-1000 K, and thereby enables high-temperature transport calculations; LO/TO-2 is the principal electron-scattering channel. In the lower-density window near $10^{12}$ cm$^{-2}$, the n-type PF reaches 15-19 $μ\\mathrm{W}/(\\mathrm{K}^{2}\\cdot\\mathrm{cm})$ at 800-900 K and exceeds the p-type PF primarily because of the higher electrical conductivity. Se vacancies ($V_{\\mathrm{Se}}$) produce weaker electron-defect scattering than Sn vacancies ($V_{\\mathrm{Sn}}$), and p-type transport is less defect tolerant than n-type transport in both phases. We define an operational critical defect concentration, $C_{\\mathrm{crit}}$, at which the PF decreases by 15% relative to the corresponding defect-free value. The lowest $C_{\\mathrm{crit}}$ is $8.841\\times10^{-5}$ (approximately 88 ppm) for p-type $α$-SnSe with $V_{\\mathrm{Sn}}$; for n-type $β$-SnSe with $V_{\\mathrm{Se}}$, the 15% threshold is not reached up to $5\\times10^{-3}$ (5000 ppm). These results distinguish finite-temperature phonon renormalization in stable $α$-SnSe from anharmonic stabilization in $β$-SnSe and provide defect-concentration limits for preserving the PF.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.20019",
  "author_total": 4,
  "authors": [
    {
      "name": "Nguyen Tran Gia Bao"
    },
    {
      "name": "Thang Bach Phan"
    },
    {
      "name": "Vu Thi Hanh Thu"
    },
    {
      "name": "Nguyen Tuan Hung"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/bnv04fb22dg92.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.20019",
  "fulltext_url": null,
  "id": "bnv04fb22dg92",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.20019",
  "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"
    ],
    [
      "arxiv",
      "physics.app-ph"
    ],
    [
      "arxiv",
      "physics.comp-ph"
    ],
    [
      "openalex",
      "2505|Advanced Thermoelectric Materials and Devices"
    ]
  ],
  "openalex": "W7213594989",
  "pdf_url": "https://arxiv.org/pdf/2609.20019",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-17",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/bnv04fb22dg92.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:22:19Z",
      "native_id": "2609.20019",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.20019"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.app-ph",
      "subfield": "applied-instrumentation"
    },
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Anharmonic Phonon Renormalization and Defect Tolerance of the Thermoelectric Power Factor in Monolayer SnSe",
  "title_text": "Anharmonic Phonon Renormalization and Defect Tolerance of the Thermoelectric Power Factor in Monolayer SnSe",
  "type": "preprint",
  "updated_at": "2026-10-30T12:22:19Z",
  "url": "https://research.draconitic.com/paper/bnv04fb22dg92",
  "venue": "arXiv",
  "versions": []
}