Electronic structure of higher-order Ruddlesden-Popper nickelates

We analyze the electronic structure of recently synthesized higher-order nickelate Ruddlesden-Popper phases ${\mathrm{La}}_{n+1}{\mathrm{Ni}}_{n}{\mathrm{O}}_{3n+1}$ $(n=4--6)$ using first-principles calculations. For all materials, our results show large holelike Fermi surfaces with ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ character that closely resemble those optimally hole-doped cuprates. higher values $n$, extra non-cuprate-like bands ${d}_{{z}^{2}}$ orbital appear. These aspects highlight this series can provide a means to modify ground states nickelates by tuning their dimensionality. With similarities and differences cuprates, new family materials potentially shed light on physics copper-based oxides.