{
  "abstract": "We use density functional theory (DFT) to demonstrate rearrangement of charge disproportionation as a new mechanism for screening polar discontinuities at heterointerfaces. We focus on SmNiO$_3$, a III-III perovskite characterized by an insulating ground state that originates from disproportionation of the electrons at the Ni sites. When interfaced with ferroelectric, II-IV perovskite BaTiO$_3$, this system can display a polar discontinuity whose magnitude is determined by the nature of the interface (NiO$_2$-BaO or SmO-TiO$_2$) and the orientation of the BaTiO$_3$ spontaneous polarization. In the orientation maximizing the interface charge, SmNiO$_3$ compensates by transferring 1 $e$/f.u. between the two interfaces and modifying the disproportionation sequence from Ni$^{4+}$/Ni$^{2+}$ to Ni$^{2+}$/Ni$^{2+}$ at the SmO-TiO$_2$ interface and to Ni$^{4+}$/Ni$^{4+}$ at the NiO$_2$-BaO interface. While this mechanism is potentially universal in all perovskites exhibiting charge disproportionation, our formal analysis of BiNiO$_3$/BaTiO$_3$ superlattices suggests that larger polar discontinuities may need more complex disproportionation patterns for screening.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.31375",
  "author_total": 4,
  "authors": [
    {
      "name": "Edith Simmen"
    },
    {
      "name": "Jonathan Amara"
    },
    {
      "name": "Philippe Ghosez"
    },
    {
      "name": "Nicola A. Spaldin"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/d6d9frzpp0e7m.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.31375",
  "fulltext_url": null,
  "id": "d6d9frzpp0e7m",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.31375",
  "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",
      "2504|Multiferroics and related materials"
    ]
  ],
  "openalex": "W7214585098",
  "pdf_url": "https://arxiv.org/pdf/2609.31375",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-25",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/d6d9frzpp0e7m.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:24:52Z",
      "native_id": "2609.31375",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.31375"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Polar discontinuity screening by charge disproportionation in ferroelectric-nickelate superlattices",
  "title_text": "Polar discontinuity screening by charge disproportionation in ferroelectric-nickelate superlattices",
  "type": "preprint",
  "updated_at": "2026-10-30T12:24:52Z",
  "url": "https://research.draconitic.com/paper/d6d9frzpp0e7m",
  "venue": "arXiv",
  "versions": []
}