{
  "abstract": "While Hf 0.5 Zr 0.5 O 2 (HZO) thin films hold significant promise for modern nanoelectronic devices, a comprehensive understanding of the interplay between their polycrystalline structure and electrical properties remains elusive. Here, we present a novel framework combining phase-field (PF) modeling with Variational Autoencoders (VAEs) to uncover structure-property correlations in polycrystalline HZO. Leveraging PF simulations, we constructed a high-fidelity dataset of P - V loops by systematically varying critical material parameters, including grain size, polar grain fraction, and crystalline orientation. The VAEs effectively encoded hysteresis loops into a low-dimensional latent space, capturing electrical properties while disentangling complex material parameters interdependencies. We further demonstrate a VAE-based inverse design approach to optimize P - V loop features, enabling the tailored design of device-specific key performance indicators (KPIs), including coercive field, remanent polarization, and loop area. The proposed approach offers a pathway to systematically explore and optimize the material design space for ferroelectric nanoelectronics.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "name": "Kévin Alhada-Lahbabi"
    },
    {
      "name": "Brice Gautier"
    },
    {
      "name": "Damien Deleruyelle"
    },
    {
      "name": "Grégoire Magagnin"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/60x6c2k4b2v58.bib",
  "cited_by": 3,
  "doi": "10.1016/j.matdes.2025.114020",
  "fulltext_url": null,
  "id": "60x6c2k4b2v58",
  "issns": [
    "0261-3069",
    "0264-1275"
  ],
  "landing_url": "https://hal.science/hal-05773460v1",
  "language": "en",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "hal",
      "0.phys"
    ],
    [
      "openalex",
      "2208|Ferroelectric and Negative Capacitance Devices"
    ]
  ],
  "openalex": "W4410091213",
  "pdf_url": null,
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-01",
  "publisher": "Elsevier",
  "ris": "https://research.draconitic.com/paper/60x6c2k4b2v58.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:45Z",
      "native_id": "hal-05773460",
      "source": "hal",
      "url": "https://hal.science/hal-05773460v1"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "hal:0.phys",
      "subfield": "general"
    }
  ],
  "title": "Elucidating structure-property correlations in ferroelectric Hf0.5Zr0.5O2 films using variational autoencoders",
  "title_text": "Elucidating structure-property correlations in ferroelectric Hf0.5Zr0.5O2 films using variational autoencoders",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:17:45Z",
  "url": "https://research.draconitic.com/paper/60x6c2k4b2v58",
  "venue": "Materials & Design",
  "versions": []
}