{
  "abstract": "We present a simplified formalism for predicting infrared optical constants from first-principles calculations. Addressing limitations of the widely used four-parameter semi-quantum Lorentz model, the proposed approach bridges the gap between the harmonic three-parameter model and full self-energy-based methods. By incorporating essential anharmonic effects including four-phonon scattering and phonon renormalisation, the model provides an efficient and accurate alternative while maintaining low computational cost. The frequency-dependent refractive indices of MgO and rutile TiO$_2$ are computed and compared with experimental data, demonstrating good quantitative agreement. The framework offers a practical approach for predicting optical properties of materials across a wide range of materials.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": "Journal reference: Phys. Rev. B. 114 (2026) 204315",
  "arxiv": "2606.13143",
  "author_total": 5,
  "authors": [
    {
      "name": "Sreerag Sundaram"
    },
    {
      "name": "Ziqi Guo"
    },
    {
      "name": "Dudong Feng"
    },
    {
      "name": "Karthik Sasihithlu"
    },
    {
      "name": "Xiulin Ruan"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/76p2dsdx82me9.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2606.13143",
  "fulltext_url": null,
  "id": "76p2dsdx82me9",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2606.13143",
  "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",
      "physics.atm-clus"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7164574815",
  "pdf_url": "https://arxiv.org/pdf/2606.13143",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-29",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/76p2dsdx82me9.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:36:22Z",
      "native_id": "2606.13143",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2606.13143"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.atm-clus",
      "subfield": "amo"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "A first-principles approach for predicting infrared optical properties of solids",
  "title_text": "A first-principles approach for predicting infrared optical properties of solids",
  "type": "preprint",
  "updated_at": "2026-11-01T12:20:44Z",
  "url": "https://research.draconitic.com/paper/76p2dsdx82me9",
  "venue": "arXiv",
  "versions": [
    {
      "doi": "10.1103/4b8p-gysh",
      "pid": null,
      "relation": "published-as",
      "title": null,
      "venue": null
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  ]
}