Three-Dimensional Fermi Surface, Van Hove Singularity and Enhancement of Superconductivity in Infinite-Layer Nickelates

Abstract: Recent experiments reveal a three-dimensional (3D) Fermi surface with a clear $k_z$ dispersion in infinite-layer nickelates, distinguishing them from their cuprate superconductor counterparts. However, the impact of this difference on the superconducting properties of nickelates remains unclear. Here, we employ a combined random-phase-approximation and dynamical-mean-field-theory (RPA+DMFT) approach to solve the linearized gap equation for superconductivity. We find that, compared to the cuprate-like two-dimensional (2D) single-orbital Fermi surface, the van Hove singularities on the 3D Fermi surface of infinite-layer nickelates strengthen spin fluctuations by driving the system closer to antiferromagnetic instabilities, thereby significantly enhancing superconductivity. Our findings underscore the critical role of the van Hove singularities in shaping the superconducting properties of infinite-layer nickelates and, more broadly, highlight the importance of subtle Fermi surface features in modeling material-specific unconventional superconductors.