{
  "abstract": "In the Eliashberg theory of superconductivity, Coulomb interactions oppose the phonon-mediated attraction and suppress the superconducting critical temperature $T_{\\mathrm{c}}$. However, most first-principles predictions continue to treat this repulsion with an empirical Coulomb pseudopotential $μ^*_{\\text{ME}}$ in the range 0.1-0.15. Here we present first-principles calculations of the Coulomb parameter $μ$ and pseudopotential $μ^*_{\\text{ME}}$ in superconducting hydrides across a range of pressures. The screened Coulomb interaction is evaluated at the random phase approximation level with the Mantel code. We demonstrate that several hydride systems, including H$_3$S, YSbH$_6$ and Mg$_2$IrH$_6$, have strong Coulomb repulsions driven by a large density of states at the Fermi energy, $N_{\\mathrm{F}}$. For Mg$_2$IrH$_6$ we obtain $μ=0.62$ and $μ^*_{\\text{ME}}\\approx0.39$, leading to a 40 K suppression in $T_{\\mathrm{c}}$ relative to a standard $μ^*_{\\text{ME}}=0.16$. Our obtained $μ^*_{\\text{ME}}$ is far above the conventional range and, accounting for the energy dependence of the density of states, resolves the factor-of-two discrepancy between $T_{\\mathrm{c}}$ estimates of previous studies. Across all systems and pressures studied, we find that $μ$ closely tracks $N_{\\mathrm{F}}$, suggesting that commonly used $μ^*_{\\text{ME}}$ values lead to overestimated $T_{\\mathrm{c}}$ in materials where the density of states at the Fermi energy is large.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.12563",
  "author_total": 2,
  "authors": [
    {
      "name": "Kieran Bozier"
    },
    {
      "name": "Chris J. Pickard"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/enmyknnbwtw3y.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.12563",
  "fulltext_url": null,
  "id": "enmyknnbwtw3y",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.12563",
  "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",
      "cond-mat.supr-con"
    ],
    [
      "arxiv",
      "physics.comp-ph"
    ],
    [
      "openalex",
      "1908|High-pressure geophysics and materials"
    ]
  ],
  "openalex": "W7221539193",
  "pdf_url": "https://arxiv.org/pdf/2610.12563",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-08",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/enmyknnbwtw3y.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:28:36Z",
      "native_id": "2610.12563",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.12563"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Enhanced Coulomb pseudopotentials in high-pressure hydrides from first principles",
  "title_text": "Enhanced Coulomb pseudopotentials in high-pressure hydrides from first principles",
  "type": "preprint",
  "updated_at": "2026-10-30T12:28:36Z",
  "url": "https://research.draconitic.com/paper/enmyknnbwtw3y",
  "venue": "arXiv",
  "versions": []
}