{
  "abstract": "The interplay of oxygen deficiency and vanadium multiple valency in the candidate multiferroic V-doped $Pca2_1$ hafnia HfO$_2$ is studied by first-principles calculations. Low-lying V majority gap states accept electrons from oxygen-vacancy donors, reducing their formation energy, and converting nominal V$^{4+}$ centers into V$^{3+}$. The resulting local magnetization and screening changes are reflected in the calculated V core-level shifts, which are consistent with the experimentally observed XPS signatures. The calculated V$^{3+}$/V$^{4+}$ population ratio determined by oxygen vacancies only matches experiment in reducing conditions, suggesting that additional electron reservoirs may contribute under ALD growth conditions. A similar scenario also seems to apply to the recently observed multiferroicity in Cr-doped hafnia, where oxygen deficiency is intrinsic to the growth technique.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": "Journal reference: Phys. Rev. Mater. 10, 104412 (2026)",
  "arxiv": "2606.13950",
  "author_total": 1,
  "authors": [
    {
      "name": "Vincenzo Fiorentini"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8bcbvm4h2y6ae.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2606.13950",
  "fulltext_url": null,
  "id": "8bcbvm4h2y6ae",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2606.13950",
  "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"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2606.13950",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-28",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/8bcbvm4h2y6ae.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:30:52Z",
      "native_id": "2606.13950",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2606.13950"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Oxygen deficiency and valency reconstruction in multiferroic V-doped HfO$_2$",
  "title_text": "Oxygen deficiency and valency reconstruction in multiferroic V-doped HfO_2",
  "type": "preprint",
  "updated_at": "2026-10-30T12:33:41Z",
  "url": "https://research.draconitic.com/paper/8bcbvm4h2y6ae",
  "venue": "arXiv",
  "versions": [
    {
      "doi": "10.1103/dfcj-rb7w",
      "pid": null,
      "relation": "published-as",
      "title": null,
      "venue": null
    }
  ]
}