Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor

Abstract

In order to explore the reason why the single-layered cuprates, La${}_{2-x}$(Sr/Ba)${}_x$CuO${}_4$ ($T_c\simeq$ 40K) and HgBa${}_2$CuO${}_{4+\delta }$ ($T_c\simeq$ 90K), have such a significant difference in $T_c$, we study a two-orbital model that incorporates the $d_{z^2}$ orbital on top of the $d_{x^2-y^2}$ orbital. It is found, with the fluctuation exchange approximation, that the $d_{z^2}$ orbital contribution to the Fermi surface, which is stronger in the La system, works against d-wave superconductivity, thereby dominating over the effect of the Fermi surface shape. The result resolves the long-standing contradiction between the theoretical results on Hubbard-type models and the experimental material dependence of $T_c$ in the cuprates.

4 pages, 4 figures. Final version published in Phys. Rev. Lett

References in corpus (13)

• Maximally-localized generalized Wannier functions for composite energy bands
• Maximally-localized Wannier functions for entangled energy bands
• LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
• Band-structure trend in hole-doped cuprates and correlation with Tcmax
• Pnictogen height as a possible switch between high-T_c nodeless and low-T_c nodal pairings in the iron based superconductors
• Effect of Structural Parameters on Superconductivity in Fluorine-Free LnFeAsO1-y (Ln=La,Nd)
• Turning a nickelate Fermi surface into a cuprate-like one through heterostructuring
• d-wave Superconductivity in the Hubbard Model
• Enhancement of Pairing Correlation by t' in the Two-Dimensional Extende d t-J Model
• Origin of the Weak Pseudo-gap Behaviors in Na_{0.35}CoO_2: Absence of Small Hole Pockets
• Effects of next-nearest-neighbor hopping $t^{\prime }$ on the electronic structure of cuprates
• Combined density-functional and dynamical cluster quantum Monte Carlo calculations for three-band Hubbard models for hole-doped cuprate superconductors
• Spin-fluctuation mechanism of superconductivity in cuprates

Cited by in corpus (116)

• Maximally localized Wannier functions: Theory and applications
• A Common Thread: the pairing interaction for the unconventional superconductors
• Gap symmetry and structure of Fe-based superconductors
• Iron-Based Superconductors: current status of materials and pairing mechanism
• Optically enhanced coherent transport in YBa2Cu3O6.5 by ultrafast redistribution of interlayer coupling
• Optically induced coherent transport far above Tc in underdoped YBa2Cu3O6+x
• Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
• Model construction and a possibility of cuprate-like pairing in a new d9 nickelate superconductor (Nd,Sr)NiO2
• Possible high $T_c$ Superconductivity in La${}_3$Ni${}_2$O${}_7$ under High Pressure through Manifestation of a Nearly-Half-Filled Bilayer Hubbard Model
• Energy and symmetry of $dd$ excitations in undoped layered cuprates measured by Cu $L_3$ resonant inelastic x-ray scattering
• Theoretical analysis on the possibility of superconductivity in a trilayer Ruddlesden-Popper nickelate La${}_4$Ni${}_3$O${}_{10}$ under pressure and its experimental examination: comparison with La${}_3$Ni${}_2$O${}_7$
• Charge density waves in infinite-layer NdNiO${}_2$ nickelates
• Influence of apical oxygen on the extent of in-plane exchange interaction in cuprate superconductors
• Origin of the material dependence of $T_c$ in the single-layered cuprates
• Theoretical possibilities for flat-band superconductivity
• Ab initio effective Hamiltonians for cuprate superconductors
• Three-Dimensional Fermi Surface of Overdoped La-Based Cuprates
• Materials design of dynamically stable $d^9$ layered nickelates
• Proposed parametric cooling of bilayer cuprate superconductors by terahertz excitation
• Finite energy spin fluctuation as a pairing glue in systems with coexisting electron and hole bands
• Systematic electronic structure in the cuprate parent state from quantum many-body simulations
• Calculated Exchange Interactions and Sensitivity of Ni Two-Hole Spin State to Hund's Coupling in Doped NdNiO2
• Ab initio downfolding for electron-phonon coupled systems: constrained density-functional perturbation theory (cDFPT)
• Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates
• Why the critical temperature of high-$T_{\mathrm{c}}$ cuprate superconductors is so low: The importance of the dynamical vertex structure
• Strain-Engineering Mott-Insulating La${}_2$CuO${}_4$
• FLEX+DMFT approach to the $d$-wave superconducting phase diagram of the two-dimensional Hubbard model
• Direct Observation of Orbital Hybridisation in a Cuprate Superconductor
• Polarization resolved Cu $L_3$-edge resonant inelastic x-ray scattering of orbital and spin excitations in NdBa${}_2$Cu${}_3$O${}_{7-\delta }$
• Dynamical screening in La2CuO4
• Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory
• Unraveling the Nature of Charge Excitations in La${}_2$CuO${}_4$ with Momentum-Resolved Cu $K$-edge Resonant Inelastic X-ray Scattering
• Orbital mixture effect on the Fermi surface-$T_c$ correlation in the cuprate superconductors --- bilayer vs single layer
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Correlated materials design: prospects and challenges
• Multiorbital analysis of the effects of uniaxial and hydrostatic pressure on $T_c$ in the single-layered cuprate superconductors
• Nodeless high-T${}_c$ superconductivity in highly-overdoped monolayer CuO${}_2$
• Development of a two-particle self-consistent method for multi-orbital systems and its application to unconventional superconductors
• From Mott to not: phenomenology of overdoped cuprates
• Multi-orbital Non-Crossing Approximation from maximally localized Wannier functions: the Kondo signature of copper phthalocyanine on Ag (100)
• Multi-orbital cluster dynamical mean-field theory with an improved continuous-time quantum Monte Carlo algorithm
• Two-dimensional type-II Dirac fermions in layered oxides
• Wide applicability of high $T_c$ pairing originating from coexisting wide and incipient narrow bands in quasi one dimension
• Optimal T${}_c$ of cuprates: role of screening and reservoir layers
• Ab initio calculation of d-d excitations in quasi-one-dimensional Cu d9 correlated materials
• $Ab$ $initio$ 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${}_2$
• Superconducting mechanism for the cuprate Ba${}_2$CuO${}_{3+\delta }$ based on a multiorbital Lieb lattice model
• Band Structure of Overdoped Cuprate Superconductors: Density Functional Theory Matching Experiments
• Asymmetry of Superconductivity in Hole- and Electron-doped Cuprates: Explanation within Two-Particle Self-Consistent Analysis for the Three-Band Model
• Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc
• Damped spin excitations in a doped cuprate superconductor with orbital hybridization
• Evolution of plasmon excitations across the phase diagram of the cuprate superconductor La${}_{2-x}$Sr${}_x$CuO${}_4$
• Selective formation of apical oxygen vacancies in La${}_{2-x}$Sr${}_x$CuO${}_4$
• Possible high-$T_c$ superconductivity due to incipient narrow bands originating from hidden ladders in Ruddlesden-Popper compounds
• Interplay of Pomeranchuk instability and superconductivity in the two-dimensional repulsive Hubbard model
• A Fidelity Study of the Superconducting Phase Diagram in the 2D Single-band Hubbard Model
• Angle-resolved photoemission spectroscopy of the low-energy electronic structure of superconducting Pr${}_2$CuO${}_4$ driven by oxygen non-stoichiometry
• Low-energy effective interactions beyond the constrained random-phase approximation by the functional renormalization group
• d_{3z^2-r^2} Orbital in high-Tc cuprates: Excitonic spectrum, metal-insulator phase diagram, optical conductivity and orbital character of doped holes
• Ab initio description of the Bi${}_2$Sr${}_2$CaCu${}_2$O${}_{8+\delta }$ electronic structure
• 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${}_4$
• Multiband Effects on Superconducting Instabilities Driven by Electron-Electron Interactions
• The Strain Derivatives of $T_c$ in HgBa${}_2$CuO${}_{4+\delta }$: CuO${}_2$ Plane Alone is Not Enough
• Variational cluster approach to s-wave pairing in heavy-fermion superconductors
• Designing nickelate superconductors with $d^8$ configuration exploiting mixed-anion strategy
• Anion height as a controlling parameter for the superconductivity in iron pnictides and cuprates
• Tuning the charge-transfer energy in hole-doped cuprates
• Electronic structure and two-band superconductivity in unconventional high-$T_c$ cuprates Ba${}_2$CuO${}_{3+\delta }$
• Anisotropy of electronic correlations: On the applicability of local theories to layered materials
• Unified description of cuprate superconductors using four-band $d$-$p$ model
• Model-mapped RPA for determining the effective Coulomb interaction
• Orbital Symmetry and Orbital Excitations in High-$T_c$ Superconductors
• Guided design of copper oxysulfide superconductors
• Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
• Possible counterintuitive enhancement of superconductivity in ladder-type cuprates by longitudinal compression
• Superconducting dome with $extended$ $s$-$wave$ pairing symmetry in the heavily hole-overdoped copper-oxide planes
• Material-dependent screening of Coulomb interaction in single-layer cuprates
• A 3D Tight-Binding Model for La-Based Cuprate Superconductors
• On-site Atractive Multiorbital Hamiltonian for $d$-Wave Superconductors
• Superconductivity in bilayer $t$-$t^{\prime }$ Hubbard models
• From high-$T_c$ to low-$T_c$: Multi-orbital effects in transition metal oxides
• Unusual Hole-doping-dependent Electronic Instability and Electron-Phonon Coupling in Infinite-layer Nickelates
• Combined computational and experimental investigation of the La-Cu-S-O quaternary system
• A picture of pseudogap phase related to charge fluxes
• Superconductivity arising from layer-differentiation in multi-layer cuprates
• Magnon interactions in a moderately correlated Mott insulator
• Optimal Tc for Electron-Doped Cuprate Realized under High Pressure
• Microscopic model for the hidden Rashba effect in YBa${}_2$Cu${}_3$O${}_{6+x}$
• $\text{Ab initio}$ derivation of effective Hamiltonian for La${}_2$CuO${}_4$/La${}_{1.55}$Sr${}_{0.45}$CuO${}_4$ heterostructure
• First-principles band structure and FLEX approach to the pressure effect on $T_c$ of the cuprate superconductors
• $GW$+EDMFT investigation of Pr${}_{1-x}$Sr${}_x$NiO${}_2$ under pressure
• Ubiquitous light real-space pairing from long-range hopping and interactions
• Enhanced superconducting gap in the outer CuO${}_2$ plane of the trilayer cuprate (Hg,Re)Ba${}_2$Ca${}_2$Cu${}_3$O${}_{8+\delta }$
• Three-orbital study on the orbital distillation effect in the high Tc cuprates
• First-principles electronic structure investigation of HgBa${}_2$Ca${}_{n-1}$Cu${}_n$O${}_{2n+2+x}$ with the SCAN density functional
• Engineering Phase Competition Between Stripe Order and Superconductivity in La${}_{1.88}$Sr${}_{0.12}$CuO${}_4$
• Monte Carlo study of cuprate superconductors in a four-band $d$-$p$ model: Role of orbital degrees of freedom
• Possible superconductivity induced by a large spin-orbit coupling in carrier doped iridium oxide insulators: A weak coupling approach
• Comparison of superconducting pairing in doped cuprates and nickelates within an extended Hubbard model
• Correlated electronic structure of high-temperature superconductor Ba${}_2$CuO${}_{3+\delta }$
• Calculations of Spin Fluctuation Spectral Functions ${\alpha }^{2}F$ in High-Temperature Superconducting Cuprates
• Momentum-dependent relaxation dynamics of the doped repulsive Hubbard model
• Material Optimization of Potential High-$T_{\text{c}}$ Superconducting Single-layer Cuprates
• Disentangling the role of bond lengths and orbital symmetries in controlling $T_c$ in YBa${}_2$Cu${}_3$O${}_7$
• Effect of strain-induced orbital splitting on the magnetic excitations in undoped cuprates
• Influence of oxygen-coordination number on the electronic structure of single-layer La-based cuprates
• Theoretical study on the possibility of high $T_c$ s$\pm$-wave superconductivity in the heavily hole-doped infinite layer nickelates
• Precise dd excitations and commensurate intersite Coulomb interactions in the dissimilar cuprate YBa_2Cu_3O_(7-x) and La_(2-x)Sr_xCuO_4
• Two-orbital view on the origin of the material dependence of Tc in the single-layer cuprates
• Order by projection in single-band Hubbard model: a DMRG study
• Non-scalar Contribution of Potential in Crystals
• Frequency Dependent Functional Renormalization Group for Interacting Fermionic Systems
• Magnetic Excitations of a Half-Filled Tl-based Cuprate
• Real-space d-wave superconductivity from weak attraction
• Real-space orbital tiling approach for the design of novel superconductors
• Electronic State of T'-Pr${}_{1.3-x}$La${}_{0.7}$Ce${}_x$CuO${}_4$ ($x=0.10$) Studied by Compton Scattering