One-dimensional linear Nb chains driving superconductivity in the pressure-induced Pnma phase of
Phys. Rev. B 112, 054515 – Published 25 August, 2025
DOI: https://doi.org/10.1103/b25z-gdm5
Abstract
Superconductivity in transition metal oxides (TMOs) usually favors oxygen-rich compositions, where polyhedral units surround transition metals, minimizing interaction between neighboring atoms. Herein we report a pressure-induced Pnma phase of , identified by first-principles swarm structure calculations, featuring one-dimensional linear Nb chain. The formation of this Nb chain is fundamentally attributed to the interaction of electrons of adjacent Nb atoms, which contribute the metallic character of . Electron-phonon coupling calculations reveal strong interactions between Nb states and low-frequency Nb-dominated phonon modes, playing a crucial role in driving the superconducting transition. Remarkably, can be quenched to ambient pressure and exhibits a superconducting transition temperature () of 20 K, the highest- value reported to date among binary TMOs.