Correlated electronic structure of a quintuple-layer nickelate

We present a comparative density-functional theory plus dynamical mean-field theory study of the two known superconducting members of the rare-earth Formula Presented layered nickelate family: hole-doped Formula Presented Formula Presented and Formula Presented Formula Presented. At the same nominal carrier concentration, these two materials exhibit nearly identical electronic structures and many-body correlation effects: mass enhancements, self-energies, and occupations. However, the fermiology of the quintuple-layer nickelate is more two-dimensional-like than its infinite-layer counterpart, making this new superconducting quintuple-layer nickelate more cupratelike without the need for chemical doping.