Scaling of the transition temperature of hole-doped cuprate superconductors with the charge-transfer energy

Abstract

We use first-principles calculations to extract two essential microscopic parameters, the charge-transfer energy and the inter-cell oxygen-oxygen hopping, which correlate with the maximum superconducting transition temperature $\Tcmax$ across the cuprates. We explore the superconducting state in the three-band model of the copper-oxygen planes using cluster Dynamical Mean-Field Theory. We find that the variation in the charge-transfer energy largely accounts for the empirical trend in $\Tcmax$, resolving a long-standing contradiction with theoretical calculations.

5 pages, 5 figures; Supplementary Material 5 pages, 2 figures

References in corpus (7)

• Strongly Correlated Superconductivity: a plaquette Dynamical mean field theory study
• Strength of Correlations in electron and hole doped cuprates
• Optical conductivity and the correlation strength of high temperature copper-oxide superconductors
• Antiferromagnetism and the gap of a Mott insulator: Results from analytic continuation of the self-energy
• Combined density-functional and dynamical cluster quantum Monte Carlo calculations for three-band Hubbard models for hole-doped cuprate superconductors
• Competition between antiferromagnetism and superconductivity, electron-hole doping asymmetry and "Fermi Surface" topology in cuprates
• The doping-driven evolution of the superconducting state of a doped Mott insulator: a key for the high temperature superconductivity

Cited by in corpus (80)

• The Hubbard model: A computational perspective
• Photoferroelectric oxides
• Similarities and differences between infinite-layer nickelates and cuprates and implications for superconductivity
• Model construction and a possibility of cuprate-like pairing in a new d9 nickelate superconductor (Nd,Sr)NiO2
• Hybridization-controlled charge transfer and induced magnetism at correlated oxide interfaces
• Many-body Electronic Structure of NdNiO${}_2$ and CaCuO${}_2$
• 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
• On the Electron Pairing Mechanism of Copper-Oxide High Temperature Superconductivity
• Materials Design for New Superconductors
• Systematic electronic structure in the cuprate parent state from quantum many-body simulations
• Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo
• Relationship between the parent charge transfer gap and maximum transition temperature in cuprates
• Phase Diagram of a Three Orbital Model for the high-T${}_c$ cuprates
• Electronic structure and magnetism in infinite-layer nickelates RNiO${}_2$ (R= La-Lu)
• Ultrafast renormalization of the onsite Coulomb repulsion in a cuprate superconductor
• Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Orbital mixture effect on the Fermi surface-$T_c$ correlation in the cuprate superconductors --- bilayer vs single layer
• Correlated materials design: prospects and challenges
• Machine-Learning-Guided Prediction Models of Critical Temperature of Cuprates
• Electronic structure and magnetic properties of higher-order layered nickelates: La${}_{n+1}$Ni${}_n$O${}_{2n+2}$ ($n=4-6$)
• Low Valence Nickelates: Launching the Nickel Age of Superconductivity
• Pseudogap and superconductivity in two-dimensional doped charge-transfer insulators
• Superconducting stripes in the hole-doped three-band Hubbard model
• Strain-induced enhancement of $T_c$ in infinite-layer Pr${}_{0.8}$Sr${}_{0.2}$NiO${}_2$ films
• $Ab$ $initio$ low-energy effective Hamiltonians for high-temperature superconducting cuprates Bi${}_2$Sr${}_2$CuO${}_6$, Bi${}_2$Sr${}_2$CaCu${}_2$O${}_8$, HgBa${}_2$CuO${}_4$ and CaCuO${}_2$
• Band Structure of Overdoped Cuprate Superconductors: Density Functional Theory Matching Experiments
• Electron-Phonon-Driven Three-Dimensional Metallicity in an Insulating Cuprate
• Dynamically screened Coulomb interaction in the parent compounds of hole-doped cuprates, trends and exceptions
• Superconductivity in the three-band model of cuprates: Variational wave function study and relation to the single-band case
• Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc
• Pairing correlations in the cuprates: a numerical study of the three-band Hubbard model
• Evolution of plasmon excitations across the phase diagram of the cuprate superconductor La${}_{2-x}$Sr${}_x$CuO${}_4$
• Metal-insulator transition in the ground-state of the three-band Hubbard model at half-filling
• Role of Oxygen States in the Low Valence Nickelate La${}_4$Ni${}_3$O${}_8$
• Ab initio quantum many-body description of superconducting trends in the cuprates
• Pseudogap transition within the superconducting phase in the three-band Hubbard model
• 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${}_4$
• Multiorbital effects in the functional renormalization group: A weak-coupling study of the Emery model
• Magnetic orders in the hole doped three-band Hubbard model: spin spirals, nematicity, and ferromagnetic domain walls
• Collective nature of orbital excitations in layered cuprates in the absence of apical oxygens
• Tuning the charge-transfer energy in hole-doped cuprates
• Anisotropy of electronic correlations: On the applicability of local theories to layered materials
• Magnetic and charge orders in the ground state of the Emery model -- accurate numerical results
• Metal-insulator transition in copper oxides induced by apex displacements
• Unified description of cuprate superconductors using four-band $d$-$p$ model
• Investigation of the effective interactions for the Emery model by the constrained random-phase approximation and constrained functional renormalization group
• Guided design of copper oxysulfide superconductors
• Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
• Superconductivity in the three-band model of cuprates: nodal direction characteristics and influence of intersite interactions
• Probing the Lattice Anharmonicity of Superconducting YBa${}_2$Cu${}_3$O${}_{7-\delta }$ Via Phonon Harmonics
• Combined computational and experimental investigation of the La-Cu-S-O quaternary system
• A picture of pseudogap phase related to charge fluxes
• Exploring d-Wave Magnetism in Cuprates from Oxygen Moments
• Magnon Splitting Induced by Charge Transfer in the Three-Orbital Hubbard Model
• First-principles band structure and FLEX approach to the pressure effect on $T_c$ of the cuprate superconductors
• Decoupling of Static and Dynamic Charge Correlations revealed by Uniaxial Strain in a Cuprate Superconductor
• Fluctuating charge-density-wave correlations in the three-band Hubbard model
• Proposal to improve Ni-based superconductors via enhanced charge transfer
• Monte Carlo study of cuprate superconductors in a four-band $d$-$p$ model: Role of orbital degrees of freedom
• The Future of the Correlated Electron Problem
• Simple predictors of $T_c$ in superconducting cuprates and the role of interactions between effective Wannier orbitals in the $d-p$ 3-band model
• Superexchanges and Charge Transfer in the La${}_3$Ni${}_2$O${}_7$ Thin Films
• Ambipolar doping of a charge-transfer insulator in the Emery model
• Ternary nickel hydrides: a new platform for unconventional superconductivity and quantum magnetism
• Pressure effects on the electronic structure and magnetic properties of infinite-layer nickelates
• Disentangling the role of bond lengths and orbital symmetries in controlling $T_c$ in YBa${}_2$Cu${}_3$O${}_7$
• Effect of the Coulomb repulsion and oxygen level on charge distribution and superconductivity in the Emery model for cuprates superconductors
• Charge gap and charge redistribution among copper and oxygen orbitals in the normal state of the Emery model
• Correlated electronic structure of high-temperature superconductor Ba${}_2$CuO${}_{3+\delta }$
• Quasiparticle Description of Angle-Resolved Photoemission Spectroscopy for SrCuO2
• Enhancement of maximum superconducting temperature by applying pressure and reducing the charge transfer gap
• Single-particle spectra and magnetic susceptibility in the Emery model: a dynamical mean-field perspective
• Cluster dynamical mean field study of intra-unit-cell charge nematicity in hole-doped cuprates
• Oxygen hole content, charge-transfer gap, covalency, and cuprate superconductivity
• Correlated Ligand Electrons in the Transition-Metal Oxide SrRuO${}_3$
• Ultrafast charge-transfer dynamics in Ca${}_2$CuO${}_2$Cl${}_2$ from time-resolved optical reflectivity
• Multi-band D-TRILEX approach to materials with strong electronic correlations
• Bulk superconductivity at 84 K in the strongly overdoped regime of cuprates
• Dynamics of superconducting pairs in the two-dimensional Hubbard model