{
  "abstract": "A systematic study of the structure and optical properties of diamagnetic neutral defects in silicon dioxide is conducted using ab initio quantum-chemical methods. It is found that the =Si---Si= defect, formed by two weakly bonded twofold-coordinated silicon atoms, and the =Si(O2) defect containing a dioxasilirane group are capable of absorbing intense visible-range laser radiation. The potential contribution of these defects to the initiation of laser-induced damage is discussed. It is also shown that bond elongation in certain defects leads to a reduction in excitation energies, shifting them from the ultraviolet to the visible range.",
  "abstract_shown": true,
  "affiliations": [
    "Research Computing Center, Lomonosov Moscow State University, 119899 Moscow, Russia",
    "Moscow Center for Fundamental and Applied Mathematics, 119991 Moscow, Russia"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Fedor V. Grigoriev",
      "orcid": "0000-0001-6893-3008"
    },
    {
      "affs": [
        0
      ],
      "name": "Vladimir B. Sulimov",
      "orcid": "0000-0002-7102-6107"
    },
    {
      "affs": [
        0
      ],
      "name": "Alexander V. Tikhonravov",
      "orcid": "0000-0003-4240-7709"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/41ne6ze1sfetq.bib",
  "cited_by": 0,
  "doi": "10.3390/inorganics14110276",
  "fulltext_url": null,
  "id": "41ne6ze1sfetq",
  "issns": [
    "2304-6740"
  ],
  "landing_url": "https://www.mdpi.com/2304-6740/14/11/276",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [],
  "openalex": null,
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-29",
  "publisher": "MDPI AG",
  "ris": "https://research.draconitic.com/paper/41ne6ze1sfetq.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:18:46Z",
      "native_id": "10.3390/inorganics14110276",
      "source": "crossref",
      "url": "https://www.mdpi.com/2304-6740/14/11/276"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "issn:2304-6740",
      "subfield": "inorganic"
    }
  ],
  "title": "Ab Initio Modeling of Optical Excitations Associated with Intrinsic Defects in a-SiO2",
  "title_text": "Ab Initio Modeling of Optical Excitations Associated with Intrinsic Defects in a-SiO2",
  "type": "peer-reviewed",
  "updated_at": "2026-10-31T00:20:51Z",
  "url": "https://research.draconitic.com/paper/41ne6ze1sfetq",
  "venue": "Inorganics",
  "versions": []
}