{
  "abstract": "High-pressure synchrotron X-ray diffraction, Raman spectroscopy, photoluminescence (PL), and UV-Vis absorption measurements were carried out on the divalent metavanadate CaV$_2$O$_6$ up to 31 GPa at room temperature. Ambient CaV$_2$O$_6$ crystallizes in a centrosymmetric pseudo-brannerite monoclinic structure ($C2/m$), where vanadium atoms reside in fivefold-coordinated VO$_5$ trigonal bipyramids. Under hydrostatic compression, the system undergoes a structural phase transition starting at $\\sim$1 GPa to a lower-symmetry, non-centrosymmetric monoclinic phase ($C2$), which becomes the single stable phase above 5.2 GPa. This transition involves an increase in vanadium coordination from VO$_5$ bipyramids to edge-sharing distorted VO$_6$ octahedra. High-pressure Raman scattering corroborates the structural phase boundaries, exhibiting mode softening ($γ_3 = -0.42$, $γ_9 = -0.46$) within the mixed-phase regime (1.0 - 4.4 GPa) and sharp anomalies in mode frequencies and linewidths across 5.2 GPa. The optical measurements show complete PL quenching near 1 GPa due to non-radiative recombination pathways introduced by local polyhedral distortions, alongside a non-monotonic evolution of the indirect optical band gap. Above 20 GPa, an anomaly in polyhedral distortion and internal strain drives an isosymmetric structural modification within the $C2$ phase, marked by an alteration in bulk compressibility and stabilization of the optical gap. Comparative high-pressure band-gap measurements on the sister compound MgV$_2$O$_6$ validate the explicit coupling between cation coordination changes and optoelectronic response in divalent metavanadates.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2610.01290",
  "author_total": 6,
  "authors": [
    {
      "name": "Bhagyashri Giri"
    },
    {
      "name": "Asish Kumar Mishra"
    },
    {
      "name": "Bidisha Mukherjee"
    },
    {
      "name": "Debabrata Samanta"
    },
    {
      "name": "Nico Giordano"
    },
    {
      "name": "Goutam Dev Mukherjee"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/ctp2b82ehtmqm.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2610.01290",
  "fulltext_url": null,
  "id": "ctp2b82ehtmqm",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2610.01290",
  "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",
      "1908|High-pressure geophysics and materials"
    ]
  ],
  "openalex": "W7216478851",
  "pdf_url": "https://arxiv.org/pdf/2610.01290",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-09",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/ctp2b82ehtmqm.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:28:36Z",
      "native_id": "2610.01290",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2610.01290"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Pressure induced structural transitions, coordination crossover, and optoelectronic response in divalent metavanadate CaV$_2$O$_6$",
  "title_text": "Pressure induced structural transitions, coordination crossover, and optoelectronic response in divalent metavanadate CaV_2O_6",
  "type": "preprint",
  "updated_at": "2026-10-30T12:28:36Z",
  "url": "https://research.draconitic.com/paper/ctp2b82ehtmqm",
  "venue": "arXiv",
  "versions": []
}