We study the many-body electronic structure of the stoichiometric and electron-doped trilayer nickelate ${\mathrm{Pr}}_4{\mathrm{Ni}}_3{\mathrm{O}}_8$ in comparison to that of the stoichiometric and hole-doped infinite layer nickelate ${\mathrm{NdNiO}}_2$ within the framework of density functional plus dynamical mean field theory, noting that ${\mathrm{Pr}}_4{\mathrm{Ni}}_3{\mathrm{O}}_8$ has the same nominal carrier concentration as ${\mathrm{NdNiO}}_2$ doped to a level of 1/3 holes/Ni. We find that the correlated Ni-$3d$ shells of both of these low valence nickelates have similar many-body configurations with correlations dominated by the $d_{x^2-y^2}$ orbital. Additionally, when compared at the same nominal carrier concentration, the materials exhibit similar many-body electronic structures, self energies, and correlation strengths, but differ in Fermiology. Compared to cuprates, these materials are closer to the Mott-Hubbard regime due to their larger charge transfer energies. Moreover, doping involves the charge reservoir provided by the rare earth $5d$ electrons, as opposed to cuprates where it is realized via the oxygen $2p$ electrons.

• Received 8 October 2020
• Accepted 3 December 2020

DOI:https://doi.org/10.1103/PhysRevB.102.245130