{
  "abstract": "Manganese selenide grows both as rock-salt $α$-MnSe, a type-II antiferromagnet, and as metastable wurtzite w-MnSe, whose magnetic order has not been measured. We compute the neutral Mn and Se vacancies and the two antisites of both polymorphs with density functional theory plus a linear-response Hubbard $U$, between the Se-rich limit bounded by MnSe$_2$ and the Mn-rich limit set by the measured formation enthalpy. In $α$-MnSe the Mn vacancy is lowest over most of the window (0.92 eV under Se-rich conditions), consistent with its p-type conduction. In w-MnSe, the Se antisite is lowest under Se-rich conditions, narrowly in the A-type order and clearly in the stripe order, and the Se vacancy is lowest under Mn-rich conditions. The Se vacancy has nearly the same formation energy in both polymorphs, whereas defects that change the number of Mn atoms differ by 0.4-1.1 eV, although DFT+$U$ places wurtzite below rock salt, contrary to experiment. A spin-degenerate stripe order lies 14 meV per formula unit below the altermagnetic A-type order of w-MnSe, and the formation energies shift between these orders by up to 0.24 eV, most for the Mn vacancy. Three of the four defects leave an uncompensated moment of 3-5 $μ_\\mathrm{B}$. In the A-type order, band unfolding shows that the sign-reversing splitting of the most strongly split band, about 230 meV and 3 eV below the valence-band maximum, keeps its peak height within the 8% scatter of the analysis at 3% defects, while points on its shoulders move by up to about 70 meV. Band-edge states are not resolved.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2611.08986",
  "author_total": 2,
  "authors": [
    {
      "name": "Tomás Rojas Solorzano"
    },
    {
      "name": "Dale Igram"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8bbcfyqcb7sg8.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2611.08986",
  "fulltext_url": null,
  "id": "8bbcfyqcb7sg8",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2611.08986",
  "language": null,
  "licence": "LicenseRef-arXiv-nonexclusive-1.0",
  "licence_label": "arXiv licence",
  "licence_source": "article",
  "licence_url": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2611.08986",
  "pmcid": null,
  "pmid": null,
  "published": "2026-11-06",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/8bbcfyqcb7sg8.ris",
  "sources": [
    {
      "first_seen": "2026-11-10T06:21:04Z",
      "native_id": "2611.08986",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2611.08986"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Native point defects in rock-salt and wurtzite MnSe: formation energies across the growth window and spin splitting in the A-type order",
  "title_text": "Native point defects in rock-salt and wurtzite MnSe: formation energies across the growth window and spin splitting in the A-type order",
  "type": "preprint",
  "updated_at": "2026-11-10T06:21:04Z",
  "url": "https://research.draconitic.com/paper/8bbcfyqcb7sg8",
  "venue": "arXiv",
  "versions": []
}