We review the electronic structure of nickelate superconductors with and without effects of electronic correlations. As a minimal model we identify the one-band Hubbard model for the Ni 3dx2−y2 orbital plus a pocket around the A-momentum. The latter however merely acts as a decoupled electron reservoir. This reservoir makes a careful translation from {nominal} Sr-doping to the doping of the one-band Hubbard model mandatory. Our dynamical mean-field theory calculations, in part already supported by experiment, indicate that the Γ pocket, Nd 4f orbitals, oxygen 2p and {the} other Ni 3d orbitals are not relevant in the superconducting doping regime. The physics is completely different if topotactic hydrogen is present or the oxygen reduction is incomplete. Then, a two-band physics hosted by the Ni 3dx2−y2 and 3d3z2−r2 orbitals emerges. Based on our minimal modeling we calculated the superconducting Tc vs. Sr-doping x phase diagram prior to experiment using the dynamical vertex approximation. For such a notoriously difficult to determine quantity as Tc, the agreement with experiment is astonishingly good. The prediction that Tc is enhanced with pressure or compressive strain, has been confirmed experimentally as well. This supports that the one-band Hubbard model plus an electron reservoir is the appropriate minimal model.
@article{arxiv.2201.01220,
title = {Phase diagram of nickelate superconductors calculated by dynamical vertex approximation},
author = {Karsten Held and Liang Si and Paul Worm and Oleg Janson and Ryotaro Arita and Zhicheng Zhong and Jan M. Tomczak and Motoharu Kitatani},
journal= {arXiv preprint arXiv:2201.01220},
year = {2022}
}
Comments
20 pages; 9 figuress; 3 tables; to be published in Frontiers in Physics as part of a series on nickelate superconductors