{
  "abstract": "The Ti L 2,3 -edge x-ray absorption spectra of various titanium oxides, including perovskite SrTiO 3 , rutile and anatase TiO 2 , and ilmenite CoTiO 3 , are analyzed with particular attention to the energy range beyond the near-edge/charge-transfer region and up to the oxygen K edge. We found that the spectral structure varies among materials and can be described using density functional theory without including the multielectron effects indispensable for describing near-edge and charge-transfer structures. We term the structures in this energy range the middle-range-energy structure and show that the distinct features are determined by the local atomic geometry around the target Ti atoms and, essentially, by the partial density of states of those atoms. Here, we demonstrate how to extract information from middle-range-energy structures by comparing them with ab initio calculations, and we propose this energy-range analysis as a new method for studying local atomic geometry, free of parameters describing multielectron effects.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "name": "Saki Imada"
    },
    {
      "name": "Yves Joly"
    },
    {
      "name": "Frank M F de Groot"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/cy704jbtyh5cb.bib",
  "cited_by": 0,
  "doi": "10.1103/36kd-rnvd",
  "fulltext_url": null,
  "id": "cy704jbtyh5cb",
  "issns": [
    "2643-1564",
    "2643-1564"
  ],
  "landing_url": "https://hal.science/hal-05770724v1",
  "language": "en",
  "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": [
    [
      "hal",
      "0.phys"
    ],
    [
      "openalex",
      "3108|X-ray Spectroscopy and Fluorescence Analysis"
    ]
  ],
  "openalex": "W7208836139",
  "pdf_url": "https://hal.science/hal-05770724/document",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-29",
  "publisher": "American Physical Society",
  "ris": "https://research.draconitic.com/paper/cy704jbtyh5cb.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:43Z",
      "native_id": "hal-05770724",
      "source": "hal",
      "url": "https://hal.science/hal-05770724v1"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "openalex:3108|X-ray Spectroscopy and Fluorescence Analysis",
      "subfield": "applied-instrumentation"
    }
  ],
  "title": "Middle-range-energy structures in Ti L 2 , 3 − edge x-ray absorption spectra of titanium oxides",
  "title_text": "Middle-range-energy structures in Ti L 2 , 3 − edge x-ray absorption spectra of titanium oxides",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:43Z",
  "url": "https://research.draconitic.com/paper/cy704jbtyh5cb",
  "venue": "Physical Review Research",
  "versions": []
}