Motivated by the recent theoretical materials design of superconducting d9 nickelates for which the charge transfer from the NiO2 to the block layer is completely suppressed [M. Hirayama et al., Phys. Rev. B 101, 075107 (2020)], we perform a calculation based on the dynamical vertex approximation and obtain the phase diagram of RbCa2NiO3 and A2NiO2Br2 where A is a cation with a valence of 2.5+. We show that the phase diagram of these nickelates exhibits the same essential features as those found in cuprates. Namely, superconductivity appears upon hole-doping into an antiferromagnetic Mott insulator, and the superconducting transition temperature shows a dome-like shape. This demonstrates that the electron correlations play an essential role in nickelate superconductors and we can control them by changing block layers.
@article{arxiv.2205.00239,
title = {$\textit{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates},
author = {Motoharu Kitatani and Yusuke Nomura and Motoaki Hirayama and Ryotaro Arita},
journal= {arXiv preprint arXiv:2205.00239},
year = {2023}
}