<i>Ab initio</i> materials design of superconductivity in <i>d</i>⁹ nickelates

Motivated by the recent theoretical materials design of superconducting d 9 nickelates for which charge transfer from NiO 2 layer to block is completely suppressed [M. Hirayama et al., Phys. Rev. B 101, 075107 (2020)], we perform a calculation based on dynamical vertex approximation and obtain phase diagram RbCa 3 A Br , where cation with valence 2.5+. We show that these exhibits same essential features as those found in cuprates. Namely, superconductivity appears upon hole-doping into an antiferromagnetic Mott insulator, transition temperature shows dome-like shape. This demonstrates electron correlations play role nickelate superconductors, can control them changing layers.