English

Phase diagram of nickelate superconductors calculated by dynamical vertex approximation

Superconductivity 2022-03-28 v1 Strongly Correlated Electrons

Abstract

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 3dx2y2d_{x^2-y^2} orbital plus a pocket around the AA-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\Gamma pocket, Nd 4ff orbitals, oxygen 2pp and {the} other Ni 3dd 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 3dx2y2d_{x^2-y^2} and 3d3z2r2d_{3z^2-r^2} orbitals emerges. Based on our minimal modeling we calculated the superconducting TcT_c vs. Sr-doping xx phase diagram prior to experiment using the dynamical vertex approximation. For such a notoriously difficult to determine quantity as TcT_c, the agreement with experiment is astonishingly good. The prediction that TcT_c 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.

Keywords

Cite

@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