The discovery of superconductivity in the infinite-layer nickelates has opened new perspectives in the context of quantum materials. We analyze, via first-principles calculations, the electronic properties of ${\mathrm{La}}_2{\mathrm{NiO}}_3\mathrm{F}$—the first single-layer T'-type nickelate—and compare these properties with those of related nickelates and isostructural cuprates. We find that ${\mathrm{La}}_2{\mathrm{NiO}}_3\mathrm{F}$ is essentially a single-band system with a Fermi surface dominated by the Ni-$3d_{x^2-y^2}$ states with an exceptional 2D character. In addition, the hopping ratio is similar to that of the highest $T_c$ cuprates and there is a remarkable $e_g$ splitting together with a charge transfer energy of 3.6 eV. According to these descriptors, along with a comparison to ${\mathrm{Nd}}_2{\mathrm{CuO}}_4$, we thus indicate single-layer T'-type nickelates of this class as very promising analogs of cupratelike physics while keeping distinct ${\mathrm{Ni}}^{1+}$ features.

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• High-temperature superconductors
• Superconductors
• First-principles calculations