Ideal Strength and Emergent Superconductivity in a Three-Dimensional sp2-Carbon Network cT16

Abstract

The design of carbon allotropes that simultaneously exhibit mechanical robustness and quantum functionalities remains a longstanding challenge. Here, we report a comprehensive first-principles study of cT16, a three-dimensional sp2-hybridized carbon network with topologically interlinked graphene-like sheets. The structure features high ideal tensile and shear strengths, with pronounced anisotropy arising from strain-induced bond rehybridization and interlayer slipping mechanisms. Electronic structure calculations reveal that cT16 is intrinsically metallic, with dispersive π-bands crossing the Fermi level. Phonon dispersion confirms its dynamical stability, and analysis of the Eliashberg spectral function yields a moderate electron-phonon coupling constant (λ = 0.481) and a logarithmic average frequency of 696.2 K. The superconducting transition temperature is estimated to reach 7.2 K at via the Allen-Dynes formula, without requiring any external doping or intercalation. Compared to existing carbon superconductors such as CaC6 or boron-doped diamond, cT16 uniquely combines chemical purity, structural resilience, and intrinsic superconductivity. These findings position cT16 as a promising lightweight carbon superconductor and expand the functional landscape of three-dimensional sp²-carbon frameworks.

Article information

Article type
Paper
Submitted
09 Aug 2025
Accepted
29 Aug 2025
First published
29 Aug 2025

Phys. Chem. Chem. Phys., 2025, Accepted Manuscript

Ideal Strength and Emergent Superconductivity in a Three-Dimensional sp2-Carbon Network cT16

H. Chen, S. Jiang, J. Wang, Y. Xu and D. Zhou, Phys. Chem. Chem. Phys., 2025, Accepted Manuscript , DOI: 10.1039/D5CP03051J

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