Electronic structure of higher-order layered palladates: La$_{n+1}$Pd$_{n}$O$_{2n+2}$ $(n = 4-7)$

Abstract

The square-planar layered nickelates R$_{n+1}$Ni$_n$O$_{2n+2}$ (R= Nd, $n=4-7$) have been recently shown to be superconducting without the need for chemical doping or pressure. Here, we examine the electronic structure of the analog higher-order square-planar palladates -- that have not yet been synthesized -- via \textit{ab initio} calculations. These layered palladates exhibit larger bandwidths, an increased $p-d$ hybridization, and less interference from R-$d$ bands at the Fermi level. These characteristics make them closer cuprate analogs and promising candidates to pursue in the context of unconventional superconductivity.