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    Topological transition and superconducting dome in W2C tuned by nitrogen doping

    Ya-Ping Li1, Shu-Xiang Qiao1, Mei-Yan Ni1,*, Hong-Yan Lu1,†, and Ping Zhang1,2,‡

    • *Contact author: nimy@qfnu.edu.cn
    • †Contact author: hylu@qfnu.edu.cn
    • ‡Contact author: zhang_ping@iapcm.ac.cn

    Phys. Rev. B 114, 274506 – Published 13 November, 2026

    DOI: https://doi.org/10.1103/ngm6-z5xx

    Abstract

    Nitrogen (N) doping is an effective strategy for enhancing superconductivity in transition-metal carbides. Orthorhombic W2C has been experimentally synthesized and identified as an intrinsic superconductor. However, the influence of N doping on its superconducting and topological properties remains unclear. Herein, we systematically explore N doping in W2C via first-principles calculations and reveal that all considered W2C1−xNx (x=0, 0.25, 0.5, 0.75, 1) compounds exhibit both stability and metallic character. The results show that N doping can reconstruct the electronic structure and drive the Lifshitz transition. Notably, the superconducting transition temperature Tc exhibits a dome-shaped dependence on N concentration. Up to x=0.75, the increase in the density of states at the Fermi level N(EF), together with the softening of the low-frequency W-dominated phonon modes, enhances the electron-phonon coupling (EPC) strength λ and raises Tc, whereas at x=1, the reductions in N(EF) and λ lower Tc. Microscopically, the dominant EPC arises from the coupling between W-5d electrons and low-frequency vibrations of W. Wannier-based Z2 invariant reveals a doping-induced topological transition from nontrivial to trivial states with increasing N content. These findings provide microscopic insight into N-doping-controlled superconductivity and topological properties in W2C, and offer theoretical guidance for designing tunable superconducting and topological transition-metal carbides.

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