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    First-principles calculation of the superconducting Tc in superhard B-C-N metals

    Adam D. Smith*, Yogesh K. Vohra, and Cheng-Chien Chen†

    • *Contact author: smitha20@uab.edu
    • †Contact author: chencc@uab.edu

    Phys. Rev. B 113, 214509 – Published 3 June, 2026

    DOI: https://doi.org/10.1103/k8ss-6lpq

    Abstract

    We perform first-principles electron-phonon calculations to evaluate the superconducting transition temperature Tc for ternary superhard metals B2C3N and B4C5N3. An ambient-pressure Tc of ∼40K and ∼20K is obtained respectively for B2C3N and B4C5N3 from the Eliashberg gap equations. The relatively high Tc of these compounds is due in part to their high Debye temperatures associated with superhardness. The materials under study are potentially synthesizable, as their formation energies are comparable to those of other recently synthesized superhard B-C-N compounds. Therefore, studying superhard metals could hold the promise of realizing new higher-Tc superconductors at ambient pressure.

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