{
  "abstract": "Realizing room-temperature spintronic functionality requires materials that maintain complete spin polarization at the Fermi level and robust ferromagnetic stability against thermal fluctuations. Here, Sr₂NiMnO₆ (SNMO) is introduced as a novel, high-performance double-perovskite candidate, and a mechanism to unlock its half-metallic potential via oxygen-vacancy (VO) engineering is uncovered. Using a combined DFT, lattice dynamics, and Monte Carlo approach, it is revealed that VO induction triggers a symmetry reduction (from I4/m to P1), driving a Ni-centered redox transition from a formal Ni⁴⁺ toward a Ni²⁺-like character, thereby evolving the electronic state from a spin-asymmetric semiconductor to a half-metal. The transition is further characterized by a substantial increase in the carrier effective mass (up to 1.235 m ₀), consistent with the emergence of localized polaronic character supporting the material's high-temperature stability and spin-selective transport. This structural-electronic coupling reconfigures the magnetic interaction from a weak superexchange-dominated regime toward an enhanced carrier-mediated exchange, consistent with, but not directly demonstrated by, the localized in-gap Ni states reported here, elevating the saturated magnetic moment to 6.00 µ B (from -2.97 µ B) and the Curie temperature to 480 K. These analyses establish a direct relationship between oxygen-vacancy formation, structural distortion, electronic reconstruction, and magnetic ordering in SNMO, highlighting oxygen-vacancy engineering as a strategy for tuning the spin-dependent properties of double perovskites for high-temperature spintronic applications.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Electrical Engineering and Automation, Aalto University Finland.",
    "Department of Mathematics and Physics, North South University Dhaka Bangladesh rubaiyet.haque@northsouth.edu harunur.rashid01@northsouth.edu.",
    "Department of Electrical and Computer Engineering, North South University Dhaka Bangladesh."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 5,
  "authors": [
    {
      "affs": [
        0,
        1
      ],
      "name": "Rifat S Apu",
      "orcid": "0009-0007-5204-3810"
    },
    {
      "affs": [
        1
      ],
      "name": "Mohammad Kamrul Hasan",
      "orcid": "0009-0008-4716-5212"
    },
    {
      "affs": [
        2
      ],
      "name": "Anas Marsaad"
    },
    {
      "affs": [
        1
      ],
      "name": "Md Harunur Rashid",
      "orcid": "0000-0001-5044-2315"
    },
    {
      "affs": [
        1
      ],
      "name": "Rubaiyet I Haque",
      "orcid": "0000-0001-6233-5816"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/erw5v0my7fz7g.bib",
  "cited_by": 0,
  "doi": "10.1039/d6ra07202j",
  "fulltext_url": "https://europepmc.org/articles/PMC13678688",
  "id": "erw5v0my7fz7g",
  "issns": [
    "2046-2069"
  ],
  "landing_url": "https://europepmc.org/article/MED/42899078",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "heading",
      "Chemistry"
    ],
    [
      "openalex",
      "2504|Magnetic and transport properties of perovskites and related materials"
    ]
  ],
  "openalex": "W7222975834",
  "pdf_url": "https://europepmc.org/articles/PMC13678688?pdf=render",
  "pmcid": "PMC13678688",
  "pmid": "42899078",
  "published": "2026-10-19",
  "publisher": "Royal Society of Chemistry",
  "ris": "https://research.draconitic.com/paper/erw5v0my7fz7g.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:32Z",
      "native_id": "MED:42899078",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42899078"
    },
    {
      "first_seen": "2026-11-07T12:23:34Z",
      "native_id": "PMC13678688",
      "source": "pmc",
      "url": "https://doi.org/10.1039/d6ra07202j"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2504|Magnetic and transport properties of perovskites and related materials",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Oxygen-vacancy-induced half-metallicity and enhanced ferromagnetism in Sr₂NiMnO₆: a DFT and Monte Carlo approach.",
  "title_text": "Oxygen-vacancy-induced half-metallicity and enhanced ferromagnetism in Sr₂NiMnO₆: a DFT and Monte Carlo approach.",
  "type": "peer-reviewed",
  "updated_at": "2026-11-08T12:21:02Z",
  "url": "https://research.draconitic.com/paper/erw5v0my7fz7g",
  "venue": "RSC advances",
  "versions": []
}