Theoretical prediction of structural stability and superconductivity in Janus MXene
Phys. Rev. B 113, 054510 – Published 12 February, 2026
DOI: https://doi.org/10.1103/dxg1-bxj4
Abstract
We present a comprehensive first-principles investigation of the structural stability, vibrational characteristics, and superconducting properties of the Janus monolayer. Janus MXene (JMXene) materials, such as , have attracted significant attention because of their intrinsic two-dimensional structure and the absence of out-of-plane symmetry, which give rise to novel physical phenomena. Phonon calculations confirm the dynamical stability of the monolayer, while electronic structure and electron-phonon coupling analyses reveal a strong phonon-mediated pairing mechanism. Anisotropic Migdal-Eliashberg theory predicts a single-gap superconducting state, with gap values between 4.29 and 4.71 meV at 10 K and a critical temperature () of 22.6 K. These findings demonstrate that hydrogenation of into significantly enhances superconductivity, thereby establishing as a promising two-dimensional superconductor with potential applications in quantum and nanoscale technologies.