{
  "abstract": "The search for novel materials capable of robust spin-current generation remains an active area of research. Here, we investigate the intrinsic spin Hall and spin Nernst effects in Co- and Rh-based skutterudites and explore their enhancement through heavy-metal substitution and site-selective doping. Using first-principles calculations and Wannier-based tight-binding models, we analyze the spin Berry curvature and spin-transport responses of pristine MX$_3$, where M = Co, Rh and X = As, Sb, as well as chemically modified systems. Despite sizable momentum-resolved spin Berry curvature, the pristine compounds exhibit relatively small net spin Hall responses due to substantial cancellation across the Brillouin zone. Isoelectronic Ir and Bi substitution at 8$c$ Wycoff M site produces little enhancement near the E$_F$, whereas non-isoelectronic Pt substitution yields a relatively better response. Most interestingly, the incorporation of Pt at the interstitial $2a$ Wycoff site of RhAs$_3$ nearly doubles the spin Hall conductivity to $\\sim400~(\\hbar/e)(Ω,\\mathrm{cm})^{-1}$ near the E$_F$ when compared to Pt substitution at 8$c$ position. At 300 K, the same interstitially filled system exhibits a spin Nernst conductivity of $\\sim1.46~(\\hbar/e),\\mathrm{A,m^{-1}K^{-1}}$ at the E$_F$, nearly an order of magnitude larger than that of $M$-site Pt substitution. The enhanced responses arise from Pt $5d$ states, strong spin-orbit coupling, and avoided crossings that generate pronounced spin-Berry-curvature hot spots. These results demonstrate that site-selective chemical engineering can effectively overcome momentum-space cancellation resulting in enhanced spin Hall and spin Nernst responses in skutterudites. Our results provide a possible route towards robust spin-current generation in this class of materials.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.02998",
  "author_total": 3,
  "authors": [
    {
      "name": "Saikat Debnath"
    },
    {
      "name": "Babu Baijnath Prasad"
    },
    {
      "name": "Shishir Kumar Pandey"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/8mzkhn03kv71p.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.02998",
  "fulltext_url": null,
  "id": "8mzkhn03kv71p",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.02998",
  "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"
    ],
    [
      "openalex",
      "3107|Magnetic properties of thin films"
    ]
  ],
  "openalex": "W7220461307",
  "pdf_url": "https://arxiv.org/pdf/2610.02998",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-02",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/8mzkhn03kv71p.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:26:45Z",
      "native_id": "2610.02998",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.02998"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Ab initio design of enhanced and sign-reversible spin Hall and spin Nernst conductivity in skutterudite materials",
  "title_text": "Ab initio design of enhanced and sign-reversible spin Hall and spin Nernst conductivity in skutterudite materials",
  "type": "preprint",
  "updated_at": "2026-10-30T12:26:45Z",
  "url": "https://research.draconitic.com/paper/8mzkhn03kv71p",
  "venue": "arXiv",
  "versions": []
}