Optimizing superconductivity: from cuprates via nickelates to palladates

Abstract

Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of the superconducting instability in the single-band Hubbard model. We calculate the spectrum and superconducting transition temperature $T_{\mathrm{c}}$ as a function of filling and Coulomb interaction for a range of hopping parameters, using the dynamical vertex approximation. We find the sweet spot for high $T_{\mathrm{c}}$ to be at intermediate coupling, moderate Fermi surface warping, and low hole doping. Combining these results with first principles calculations, neither nickelates nor cuprates are close to this optimum within the single-band description. Instead, we identify some palladates, notably RbSr${}_2$PdO${}_3$ and $A_2^{\prime }$PdO${}_2$Cl${}_2$ ($A^{\prime }$=Ba${}_{0.5}$La${}_{0.5}$), to be virtually optimal, while others, such as NdPdO${}_2$, are too weakly correlated.

8+16 pages, 5+18 figures

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• Correlations turn electronic structure of finite-layer nickelates upside down
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• Geometric effects in the infinite-layer nickelates
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• Interplay of Pomeranchuk instability and superconductivity in the two-dimensional repulsive Hubbard model
• Microscopic Theory of Superconducting Phase Diagram in Infinite-Layer Nickelates
• Strongly correlated superconductivity with long-range spatial fluctuations
• Emergent flat-band physics in $d^{9-\delta }$ multilayer nickelates
• Dynamical structural instability and its implication on the physical properties of infinite-layer nickelates
• Signatures of topotactic hydrogen in nickelate superconductors
• Unified description of cuprate superconductors using four-band $d$-$p$ model
• Possible structural quantum criticality tuned by rare-earth ion substitution in infinite-layer nickelates
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Cited by in corpus (26)

• Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La${}_3$Ni${}_2$O${}_7$ under pressure
• Charge Transfer and Zhang-Rice Singlet Bands in the Nickelate Superconductor $\mathrm{L}{\mathrm{a}}_3\mathrm{N}{\mathrm{i}}_2{\mathrm{O}}_7$ under Pressure
• Low-energy electrodynamics of infinite-layer nickelates: evidence for d-wave superconductivity in the dirty limit
• Origin and fate of the pseudogap in the doped Hubbard model
• Electronic Structure of Superconducting Infinite-Layer Lanthanum Nickelates
• Superconductivity in the Bilayer Two-orbital Hubbard Model
• Electronic structure and magnetic correlations in trilayer nickelate superconductor La${}_4$Ni${}_3$O${}_{10}$ under pressure
• Electronic structure of Ruddlesden-Popper nickelates: strain to mimic the effects pressure
• Unconventional superconductivity without doping: infinite-layer nickelates under pressure
• Magnetic phase diagram of the three-dimensional doped Hubbard model
• Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
• Transfer learning from Hermitian to non-Hermitian quantum many-body physics
• $\text{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates
• Topotactical Hydrogen Induced Single-Band $d$-wave Superconductivity in La${}_2$NiO${}_4$
• Comparison of superconducting pairing in doped cuprates and nickelates within an extended Hubbard model
• The finite-difference parquet method: Enhanced electron-paramagnon scattering opens a pseudogap
• Entanglement in the pseudogap regime of cuprate superconductors
• Superconducting phase diagram of finite-layer nickelates Nd${}_{n+1}$Ni${}_n$O${}_{2n+2}$
• Universal Chemical Formula Dependence of $Ab$ $Initio$ Low-Energy Effective Hamiltonian in Single-Layer Carrier Doped Cuprate Superconductors -- Study by Hierarchical Dependence Extraction Algorithm
• Lattice dynamics of the infinite-layer nickelate LaNiO${}_2$
• Theoretical study on the possibility of high $T_c$ s$\pm$-wave superconductivity in the heavily hole-doped infinite layer nickelates
• Pseudogap and strange metal states in the square-lattice Hubbard model: A comprehensive study
• Structural stability, electronic structure, and magnetic properties of the single-layer trilayer La3Ni2O7 polymorph
• Mott Criticality as the Confinement Transition of a Pseudogap-Mott Metal
• $L{a}_{3}P{d}_{2}Na{O}_9$: A High-Valent Insulating Palladate
• Many-body perturbation theory for strongly correlated effective Hamiltonians using effective field theory methods