Nickelate superconductors -- a renaissance of the one-band Hubbard model

Abstract

Following the discovery of superconductivity in the cuprates and the seminal work by Anderson, the theoretical efforts to understand high-temperature superconductivity have been focusing to a large extent on a simple model: the one-band Hubbard model. However, superconducting cuprates need to be doped, and the doped holes go into the oxygen orbitals. This requires a more elaborate multi-band model such as the three-orbital Emery model. The recently discovered nickelate superconductors appear, at first glance, to be even more complicated multi-orbital systems. Here, we analyse this multi-orbital system and find that it is instead the nickelates which can be described by a one-band Hubbard model, albeit with an additional electron reservoir and only around the superconducting regime. Our calculations of the critical temperature Tc are in good agreement with experiment, and show that optimal doping is slightly below the 20% Sr-doping of Ref. 11. Even more promising than 3d nickelates are 4d palladates.

6+10 pages. In the second (arXiv) version we also compare to the experimental phase diagram [arXiv:2003.08506] in the Supplementary Information Section S.6; in the final (npj) version also the experimental phase diagram [arXiv:2004.11281] is mentioned

References in corpus (13)

• Continuous-time Monte Carlo methods for quantum impurity models
• Superconducting Dome in Nd${}_{1-x}$Sr${}_x$NiO${}_2$ Infinite Layer Films
• Self-doped Mott insulator for parent compounds of nickelate superconductors
• Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
• Aspects of the Synthesis of Thin Film Superconducting Infinite-Layer Nickelates
• 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
• Lifshitz transition and frustration of magnetic moments in infinite-layer NdNiO${}_2$ upon hole-doping
• Materials design of dynamically stable $d^9$ layered nickelates
• Fundamental difference in the electronic reconstruction of infinite-layer vs. perovskite neodymium nickelate films on SrTiO${}_3$(001)
• Interplay of Pomeranchuk instability and superconductivity in the two-dimensional repulsive Hubbard model

Cited by in corpus (141)

• The Hubbard model: A computational perspective
• Phase diagram and superconducting dome of infinite-layer $\mathrm{N}{\mathrm{d}}_{1-\mathrm{x}}\mathrm{S}{\mathrm{r}}_{\mathrm{x}}\mathrm{Ni}{\mathrm{O}}_2$ thin films
• Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO${}_2$
• Bilayer two-orbital model of La${}_3$Ni${}_2$O${}_7$ under pressure
• Superconductivity in infinite-layer nickelate La${}_{1-x}$Ca${}_x$NiO${}_2$ thin films
• Electronic correlations and superconducting instability in La${}_3$Ni${}_2$O${}_7$ under high pressure
• Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model
• Character of the "normal state" of the nickelate superconductors
• Superconductivity in infinite-layer nickelates
• Pressure-induced monotonic enhancement of Tc to over 30 K in the superconducting Pr0.82Sr0.18NiO2 thin films
• Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La${}_3$Ni${}_2$O${}_7$ under pressure
• Hund's metal physics: from SrNiO${}_2$ to NdNiO${}_2$
• Intrinsic magnetism in superconducting infinite-layer nickelates
• Orbital Selective Superconductivity in a Two-band Model of Infinite-Layer Nickelates
• High-T${}_C$ superconductivity in $\mathrm{L}{\mathrm{a}}_3\mathrm{N}{\mathrm{i}}_2{\mathrm{O}}_7$ based on the bilayer two-orbital t-J model
• Orbital and Spin Character of Doped Carriers in Infinite-Layer Nickelates
• Electronic Structure Trends Across the Rare-Earth Series in Superconducting Infinite Layer Nickelates
• Normal state of Nd${}_{1-x}$Sr${}_x$NiO${}_2$ from self-consistent $GW$+EDMFT
• Calculated Exchange Interactions and Sensitivity of Ni Two-Hole Spin State to Hund's Coupling in Doped NdNiO2
• Superconductivity in nickel based 112 systems
• Similarities and differences between nickelate and cuprate films grown on a SrTiO${}_3$ substrate
• Optical properties of the infinite-layer La${}_{1-x}$Sr${}_x$NiO${}_2$ and hidden Hund's physics
• $f$-electron and magnetic ordering effects in nickelates LaNiO${}_2$ and NdNiO${}_2$: remarkable role of the cuprate-like $3d_{x^2-y^2}$ band
• Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates
• Phase diagram of nickelate superconductors calculated by dynamical vertex approximation
• Magnetic correlations in infinite-layer nickelates: an experimental and theoretical multi-method study
• Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications
• Boson-Exchange Parquet Solver for dual fermions
• Nickelate superconductors: an ongoing dialog between theory and experiments
• Evidence for quasi-two-dimensional superconductivity in infinite-layer nickelates
• Doping-dependent character and possible magnetic ordering of NdNiO${}_2$
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Cuprate-like Electronic Structures in Infinite-Layer Nickelates with Substantial Hole Dopings
• Trilayer multi-orbital models of $\mathrm{L}{\mathrm{a}}_4\mathrm{N}{\mathrm{i}}_3{\mathrm{O}}_{10}$
• Low-energy electrodynamics of infinite-layer nickelates: evidence for d-wave superconductivity in the dirty limit
• Comparative Many-Body Study of Pr${}_4$Ni${}_3$O${}_8$ and NdNiO${}_2$
• Superconductivity in Infinite-layer Nickelates : Role of Non-zero f-ness
• Bulk NdNiO2 is thermodynamically unstable with respect to decomposition while hydrogenation reduces the instability and transforms it from metal to insulator
• Electronic correlations and magnetic interactions in infinite-layer NdNiO${}_2$
• Charge and spin instabilities in superconducting La${}_3$Ni${}_2$O${}_7$
• Self-consistent ladder D$\Gamma$A approach
• Magnetic exchange coupling in cuprate-analog $d^9$ nickelates
• Doping dependence of electronic structure of infinite-layer NdNiO2
• Dependence of DFT+DMFT Results on the Construction of the Correlated Orbitals
• Explaining the pseudogap through damping and antidamping on the Fermi surface by imaginary spin scattering
• Electronic Structure of Superconducting Infinite-Layer Lanthanum Nickelates
• Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study
• Correlations turn electronic structure of finite-layer nickelates upside down
• Experimental Progress on the Emergent Infinite-Layer Ni-Based Superconductors
• Review on quasi-2D square planar nickelates
• Infinite-layer nickelate superconductors: A current experimental perspective of the crystal and electronic structures
• Superconductivity and Antiferromagnetism in NdNiO${}_2$ and CaCuO${}_2$: A Cluster DMFT Study
• Electronic structure and magnetic correlations in trilayer nickelate superconductor La${}_4$Ni${}_3$O${}_{10}$ under pressure
• Soft X-ray Spectroscopy of Low-Valence Nickelates
• Strain-induced enhancement of $T_c$ in infinite-layer Pr${}_{0.8}$Sr${}_{0.2}$NiO${}_2$ films
• Limits to the strain engineering of layered square-planar nickelate thin films
• Self-doping and the Mott-Kondo scenario for infinite-layer nickelate superconductors
• Correlated interface electron gas in infinite-layer nickelate versus cuprate films on SrTiO${}_3$(001)
• Effect of epitaxial strain on the electronic structure and magnetic correlations in infinite-layer (Nd,Sr)NiO${}_2$
• The dynamical vertex approximation for many-electron systems with spontaneously broken SU(2)-symmetry
• 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
• An electronic origin of charge order in infinite-layer nickelates
• Electronic structure of Ruddlesden-Popper nickelates: strain to mimic the effects pressure
• Microscopic Theory of Superconducting Phase Diagram in Infinite-Layer Nickelates
• Superconductivity in freestanding infinite-layer nickelate membranes
• On the origin of topotactic reduction effect for superconductivity in infinite-layer nickelates
• Hund physics landscape of two-orbital system
• Correlated electronic structure of a quintuple-layer nickelate
• Strongly correlated superconductivity with long-range spatial fluctuations
• Superconductivity studied by solving ab initio low-energy effective Hamiltonians for carrier doped CaCuO${}_2$, Bi${}_2$Sr${}_2$CuO${}_6$, Bi${}_2$Sr${}_2$CaCu${}_2$O${}_8$, and HgBa${}_2$CuO${}_4$
• Interplay between Zhang-Rice singlets and high-spin states in a model for doped NiO${}_2$ planes
• Topotactic-hydrogen forms chains in $AB$O${}_2$ nickelate superconductors
• Accurate Simulation of the Hubbard Model with Finite Fermionic Projected Entangled Pair States
• Dynamical structural instability and its implication on the physical properties of infinite-layer nickelates
• Many-body electronic structure of $d^{9-\delta }$ layered nickelates
• Screening in a two-band model for superconducting infinite-layer nickelate
• Designing nickelate superconductors with $d^8$ configuration exploiting mixed-anion strategy
• Spin-density, charge- and bond-disproportionation wave instability in hole-doped infinite-layer $R$NiO${}_2$
• Signatures of topotactic hydrogen in nickelate superconductors
• Superconductivity in the parent infinite-layer nickelate NdNiO${}_2$
• Quantifying interaction mechanism in infinite layer nickelate superconductors
• Electronic Theory for Scanning Tunneling Microscopy Spectra in Infinite-Layer Nickelate Superconductors
• Charge Density Wave Ordering in NdNiO${}_2$: Effects of Multiorbital Nonlocal Correlations
• Oxygen vacancy formation and electronic reconstruction in strained LaNiO${}_3$ and LaNiO${}_3$/LaAlO${}_3$ superlattices
• Mott transition and pseudogap of the square-lattice Hubbard model: results from center-focused cellular dynamical mean-field theory
• $\text{In situ}$ preparation of superconducting infinite-layer nickelate thin films with atomically flat surface
• Antiferromagnetic fluctuations and a dominant $d_{xy}$-wave pairing symmetry in nickelate-based superconductors
• Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates
• An Improved Two-Particle Self-Consistent Approach
• Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer La${}_3$Ni${}_2$O${}_7$ polymorph
• Hidden, one-dimensional, strongly nested, and almost half-filled Fermi surface in Ba${}_2$CuO${}_{3+y}$ superconductors
• Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors
• Scanning SQUID study of ferromagnetism and superconductivity in infinite-layer nickelates
• Magnetism in doped infinite-layer NdNiO2 studied by combined density functional theory and dynamical mean-field theory
• Nature of the magnetic coupling in infinite-layer nickelates versus cuprates
• Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
• Variation of carrier density in semimetals via short-range correlation: A case study with nickelate NdNiO${}_2$
• Unusual Hole-doping-dependent Electronic Instability and Electron-Phonon Coupling in Infinite-layer Nickelates
• Charge order and superconductivity in a minimal two-band model for infinite-layer nickelates
• Intertwined charge and spin instability of La${}_3$Ni${}_2$O${}_7$
• Low-energy perspective on two-orbital Hund metals and the case of LaNiO2
• Possible structural quantum criticality tuned by rare-earth ion substitution in infinite-layer nickelates
• $GW$+EDMFT investigation of Pr${}_{1-x}$Sr${}_x$NiO${}_2$ under pressure
• Low-energy plasmon excitations in infinite-layer nickelates
• Tunable $t-t^{\prime }-U$ Hubbard models in twisted square homobilayers
• Influence of $f$ Electrons on the Electronic Band Structure of Rare-Earth Nickelates
• Softening of $dd$ excitation in the resonant inelastic x-ray scattering spectra as a signature of Hund's coupling in nickelates
• The emergence of antiferromagnetic correlations and Kondo-like features in a two-band model for infinite-layer nickelates
• A Broken Translational Symmetry State in an Infinite-Layer Nickelate
• Local correlations necessitate waterfalls as a connection between quasiparticle band and developing Hubbard bands
• Strong-coupling high-$T_{\mathrm{c}}$ superconductivity in doped correlated band insulators
• Effective enhancement of the electron-phonon coupling driven by nonperturbative electronic density fluctuations
• $\text{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates
• Electronic Correlations and Absence of Superconductivity in the Collapsed Phase of LaFe${}_2$As${}_2$
• Topotactical Hydrogen Induced Single-Band $d$-wave Superconductivity in La${}_2$NiO${}_4$
• The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Comparison of superconducting pairing in doped cuprates and nickelates within an extended Hubbard model
• Superconducting phase diagram of finite-layer nickelates Nd${}_{n+1}$Ni${}_n$O${}_{2n+2}$
• Theoretical study on the possibility of high $T_c$ s$\pm$-wave superconductivity in the heavily hole-doped infinite layer nickelates
• Quasi-particle functional Renormalisation Group calculations in the two-dimensional t-t'-Hubbard model
• Lattice dynamics of the infinite-layer nickelate LaNiO${}_2$
• Unconventional superconductivity in $\zeta$-phase of oxygen compressed to megabar pressure
• Pressure effects on the electronic structure and magnetic properties of infinite-layer nickelates
• Intrinsic coherence length anisotropy in nickelate, and some pnictide, and chalcogenide superconductors
• Orbital-selective spin-triplet superconductivity in infinite-layer LaNiO${}_2$
• Systematic evolution of superconducting pairing strength and Seebeck coefficients in correlated infinite-layer La${}_{1-x}$Sr${}_x$NiO${}_2$
• Single-particle spectra and magnetic susceptibility in the Emery model: a dynamical mean-field perspective
• Emergence and tunability of Fermi-pocket and electronic instabilities in layered Nickelates
• Dual-space cluster-diagrammatic approach to nonlocal electronic correlations
• Active learning and element embedding approach in neural networks for infinite-layer versus perovskite oxides
• Discovery of Giant Unit-Cell Super-Structure in the Infinite-Layer Nickelate PrNiO${}_2$
• Surfaces and interfaces of infinite-layer nickelates studied by dynamical mean-field theory
• Effect of doping on the electronic structure, orbital-dependent renormalizations, and magnetic correlations in bilayer La${}_3$Ni${}_2$O${}_7$
• Coexistence of superconductivity and charge density wave in a correlated regime
• $L{a}_{3}P{d}_{2}Na{O}_9$: A High-Valent Insulating Palladate
• Interplay of orbital-selective Mott criticality and flat-band physics in La${}_3$Ni${}_2$O${}_6$
• Character of Doped Holes in Nd${}_{1-x}$Sr${}_x$NiO${}_2$
• Valency, charge-transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
• Comparing Symmetrized Determinant Neural Quantum States for the Hubbard Model