- Letter
Charge density wave, superconductivity, and nontrivial topology in monolayer
Phys. Rev. B 111, L140508 – Published 23 April, 2025
DOI: https://doi.org/10.1103/PhysRevB.111.L140508
Abstract
Charge density wave (CDW), superconductivity, nontrivial topology, and their interplay have garnered significant attention in condensed matter physics. In this Letter, we predicted as a ground-state CDW candidate, combining with superconductivity and nontrivial topology within the two-dimensional (2D) family. Using first-principles calculations, we systematically investigated its electronic structure, vibrational properties, CDW instability, and superconductivity. The monolayer shares a similar crystal field with , resulting in a comparable Fermi-surface topology that enables the formation of CDW. The CDW instability arises from the electron-phonon coupling between Nb- orbitals and longitudinal acoustic phonons from the Nb- vibrational mode. Electron doping and tensile strain can suppress the CDW instability, leading to 2D superconductivity with critical temperatures of 5.73 and 5.11 K under 0.2 /f.u. and 2.3% strain, respectively. The strong hybridization between Nb- and As- orbitals causes the metallic band crossing the Fermi level to intersect with lower bands, forming six topologically nontrivial Dirac points as described by a three-band tight-binding model. This nontrivial topology coexists with both CDW and superconductivity within the same metallic band. The ground-state CDW in monolayer offers a potential platform for exploring the interplay of many-body instabilities and topological physics.