Optimizing Superconductivity: From Cuprates via Nickelates to Palladates
Motoharu Kitatani, Liang Si, Paul Worm, Jan M. Tomczak, Ryotaro Arita, Karsten Held
Abstract
Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of the superconducting instability in the single-band Hubbard model. We calculate the spectrum and superconducting transition temperature T_{c} as a function of filling and Coulomb interaction for a range of hopping parameters, using the dynamical vertex approximation. We find the sweet spot for high T_{c} to be at intermediate coupling, moderate Fermi surface warping, and low hole doping. Combining these results with first principles calculations, neither nickelates nor cuprates are close to this optimum within the single-band description. Instead, we identify some palladates, notably RbSr_{2}PdO_{3} and A_{2}^{'}PdO_{2}Cl_{2} (A^{'}=Ba_{0.5}La_{0.5}), to be virtually optimal, while others, such as NdPdO_{2}, are too weakly correlated.