Phase diagram of nickelate superconductors calculated by dynamical vertex approximation

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 3$d_{x^2-y^2}$ 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 $\Gamma$ pocket, Nd 4$f$ orbitals, oxygen 2$p$ and {the} other Ni 3$d$ 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 3$d_{x^2-y^2}$ and 3$d_{3z^2-r^2}$ orbitals emerges. Based on our minimal modeling we calculated the superconducting $T_c$ vs. Sr-doping $x$ phase diagram prior to experiment using the dynamical vertex approximation. For such a notoriously difficult to determine quantity as $T_c$, the agreement with experiment is astonishingly good. The prediction that $T_c$ 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.

20 pages; 9 figuress; 3 tables; to be published in Frontiers in Physics as part of a series on nickelate superconductors

References in corpus (18)

• Continuous-time Monte Carlo methods for quantum impurity models
• Dynamical vertex approximation - a step beyond dynamical mean field theory
• Orbital order and possible superconductivity in LaNiO3/LaMO3 superlattices
• Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO${}_2$
• Self-doped Mott insulator for parent compounds of nickelate superconductors
• Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
• Nickelate superconductors $--$ Multiorbital nature and spin freezing
• Role of $4f$ states in infinite-layer NdNiO${}_2$
• Electronic structure of rare-earth infinite-layer ReNiO2 (Re=La, Nd)
• Two-band model for magnetism and superconductivity in nickelates
• Orbital Selective Superconductivity in a Two-band Model of Infinite-Layer Nickelates
• Dynamical vertex approximation in its parquet implementation: application to Hubbard nano-rings
• Multiorbital processes rule the Nd${}_{1-x}$Sr${}_x$NiO${}_2$ normal state
• Ab initio dynamical vertex approximation
• Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
• Materials design of dynamically stable $d^9$ layered nickelates
• High Tc superconductivity at the interface between the CaCuO2 and SrTiO3 insulating oxides
• Effective Coulomb interactions in solids under pressure

Cited by in corpus (31)

• Electronic correlations and superconducting instability in La${}_3$Ni${}_2$O${}_7$ under high pressure
• Correlated electronic structure of La${}_3$Ni${}_2$O${}_7$ under pressure
• Unconventional crystal structure of the high-pressure superconductor La${}_3$Ni${}_2$O${}_7$
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Low-energy electrodynamics of infinite-layer nickelates: evidence for d-wave superconductivity in the dirty limit
• Electronic Structure of Superconducting Infinite-Layer Lanthanum Nickelates
• Correlations turn electronic structure of finite-layer nickelates upside down
• Antiferromagnetic Ground State, Charge Density Waves and Oxygen Vacancies Induced Metal-Insulator Transition in Pressurized La${}_3$Ni${}_2$O${}_7$
• Magnetic properties and pseudogap formation in infinite-layer nickelates: insights from the single-band Hubbard model
• Unconventional superconductivity without doping: infinite-layer nickelates under pressure
• Strongly correlated superconductivity with long-range spatial fluctuations
• Topotactic-hydrogen forms chains in $AB$O${}_2$ nickelate superconductors
• Spin-density, charge- and bond-disproportionation wave instability in hole-doped infinite-layer $R$NiO${}_2$
• Signatures of topotactic hydrogen in nickelate superconductors
• Fermi and Luttinger arcs: two concepts, realized on one surface
• Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates
• An Improved Two-Particle Self-Consistent Approach
• Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors
• Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates
• Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
• $GW$+EDMFT investigation of Pr${}_{1-x}$Sr${}_x$NiO${}_2$ under pressure
• Low-energy plasmon excitations in infinite-layer nickelates
• The emergence of antiferromagnetic correlations and Kondo-like features in a two-band model for infinite-layer nickelates
• Local correlations necessitate waterfalls as a connection between quasiparticle band and developing Hubbard bands
• $\text{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates
• Inversion symmetry breaking in bilayer multi-orbital Hubbard model with impurity approximation
• Superconducting phase diagram of finite-layer nickelates Nd${}_{n+1}$Ni${}_n$O${}_{2n+2}$
• Comparison of superconducting pairing in doped cuprates and nickelates within an extended Hubbard model
• Lattice dynamics of the infinite-layer nickelate LaNiO${}_2$
• Emergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates
• $L{a}_{3}P{d}_{2}Na{O}_9$: A High-Valent Insulating Palladate