Topological transition and superconducting dome in tuned by nitrogen doping
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 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 via first-principles calculations and reveal that all considered (, 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 exhibits a dome-shaped dependence on N concentration. Up to , the increase in the density of states at the Fermi level , together with the softening of the low-frequency W-dominated phonon modes, enhances the electron-phonon coupling (EPC) strength and raises , whereas at , the reductions in and lower . Microscopically, the dominant EPC arises from the coupling between W- electrons and low-frequency vibrations of W. Wannier-based 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 , and offer theoretical guidance for designing tunable superconducting and topological transition-metal carbides.