{
  "abstract": "Ferroelectric switching in heterostructures couples composition, layer topology, temperature, and interfacial boundary conditions. ReaxFF molecular dynamics isolates these variables in ZnO/ Zn1- xMgxO/ZnO and Zn1-xMgxO/ZnO/ Zn1-xMgxO stacks. Within pristine, initially single-domain models, coupling to switchable Zn1-xMgxO reduces the applied field required to reverse ZnO by up to fivefold. Temperature generally lowers the coercive field, whereas Mg concentration produces a nonmonotonic response. At equal ZnO and Zn1-xMgxO (ZMO) proportions, structures with ZnO at the center switch at lower fields than those with ZMO at the center at all four temperatures examined, demonstrating a topology-dependent response. Layer-resolved trajectories reveal topology-dependent switching sequences with direction-dependent redistribution of normal stress near the heterointerfaces, consistent with a stress-assisted cooperative pathway. Limiting MgO-containing structures exhibit sequential multilevel switching or low-polarity trapping, depending on thickness and temperature. Fixed-charge atomistic simulations complement previous continuum descriptions by resolving structural, energetic, and local stress evolution under a common applied field. TEM and STEM-EDS observations provide experimental structural context for the modeled architectures. Together, the results establish layer topology and interfacial mechanical confinement as design variables for wurtzite ferroelectric heterostructures.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.31480",
  "author_total": 7,
  "authors": [
    {
      "name": "Alireza Sepehrinezhad"
    },
    {
      "name": "Ali Mohammadi Dinani"
    },
    {
      "name": "Ece Gunay"
    },
    {
      "name": "Elizabeth C. Dickey"
    },
    {
      "name": "Jon-Paul Maria"
    },
    {
      "name": "Susan Trolier-McKinstry"
    },
    {
      "name": "Adri C. T. van Duin"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/94rpx8rzttawe.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.31480",
  "fulltext_url": null,
  "id": "94rpx8rzttawe",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.31480",
  "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"
    ],
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "2208|Ferroelectric and Negative Capacitance Devices"
    ]
  ],
  "openalex": "W7214632651",
  "pdf_url": "https://arxiv.org/pdf/2609.31480",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-25",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/94rpx8rzttawe.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:24:52Z",
      "native_id": "2609.31480",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.31480"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Ferroelectric Switching in ZnO/Zn1-xMgxO Heterostructures: Atomistic Insights into Interfacial Coupling and Layer Architecture",
  "title_text": "Ferroelectric Switching in ZnO/Zn1-xMgxO Heterostructures: Atomistic Insights into Interfacial Coupling and Layer Architecture",
  "type": "preprint",
  "updated_at": "2026-10-30T12:24:52Z",
  "url": "https://research.draconitic.com/paper/94rpx8rzttawe",
  "venue": "arXiv",
  "versions": []
}