- Letter
-wave superconductivity in pressurized
Phys. Rev. B 110, L180501 – Published 4 November, 2024
DOI: https://doi.org/10.1103/PhysRevB.110.L180501
Abstract
Recently, evidence of superconductivity (SC) has been reported in pressurized . Here we study its possible pairing mechanism and pairing symmetry. Through fitting the density-functional-theory band structure, we provide a six-orbital tight-binding model. In comparison with the band structure of , the additional nonbonding band is important to the pairing mechanism here. When the multiorbital Hubbard interactions are included, our random-phase-approximation based study yields an -wave SC. The dominant Fermi-surface nesting with vector is between the pocket contributed by the bonding band top and the pocket contributed by the nonbonding band bottom, leading to the strongest pairing amplitude and opposite gap signs within the two regimes. The dominant real-space pairing is the interlayer -orbital pairing. This -wave pairing pattern is insensitive to the band details. Upon electron doping, the would increase promptly before the system enters the Néel-ordered spin-density-wave phase.