Correlation Strength, Gaps and Particle-Hole Asymmetry in High-Tc Cuprates: a Dynamical Mean Field Study of the Three-Band Copper-Oxide Model

Abstract

The three-band model relevant to high temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per unit cell the metal/charge-transfer-insulator phase diagram is determined. The electron spectral function, optical conductivity and quasiparticle mass enhancement are computed as functions of electron and hole doping for parameters such that the corresponding to the paramagnetic metal and charge-transfer insulator sides of the one hole per cell phase diagram. The optical conductivity is computed using the Peierls phase approximation for the optical matrix elements. The calculation includes the physics of "Zhang-Rice singlets". The effects of antiferromagnetism on the magnitude of the gap and the relation between correlation strength and doping-induced changes in state density are determined. Three band and one band models are compared. The two models are found to yield quantitatively consistent results for all energies less than about 4eV, including energies in the vicinity of the charge-transfer gap. Parameters on the insulating side of the metal/charge-transfer insulator phase boundary lead to gaps which are too large and near-gap conductivities which are too small relative to data. The results place the cuprates clearly in the intermediate correlation regime, on the paramagnetic metal side of the metal/charge-transfer insulator phase boundary.

arXiv comment9 pages, 6 figures. accepted by Phys. Rev. B

References in corpus (10)

• A continuous-time solver for quantum impurity models
• LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
• 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
• Physics of cuprates with the two-band Hubbard model - The validity of the one-band Hubbard model
• Cluster Dynamical Mean-Field Theory of the density-driven Mott transition in the one-dimensional Hubbard model
• On the optical conductivity of Electron-Doped Cuprates I: Mott Physics
• Optical Weights and Waterfalls in Doped Charge Transfer Insulators: an LDA+DMFTStudy of LSCO
• Superconductivity in the Two-Band Hubbard Model in Infinite Dimensions
• The Full Mottness

Cited by in corpus (43)

• Correlated quantum phenomena in the strong spin-orbit regime
• Ultrafast optical spectroscopy of strongly correlated materials and high-temperature superconductors: a non-equilibrium approach
• Physics of ultrathin films and heterostructures of rare earth nickelates
• A substantial hybridization between correlated Ni-d orbital and itinerant electrons in infinite-layer nickelates
• Revealing the high-energy electronic excitations underlying the onset of high-temperature superconductivity in cuprates
• Apical oxygens and correlation strength in electron and hole doped copper oxides
• Characterizing the three-orbital Hubbard model with determinant quantum Monte Carlo
• Ab initio downfolding for electron-phonon coupled systems: constrained density-functional perturbation theory (cDFPT)
• Intermediate Coupling Model of the Cuprates
• Dynamical screening in correlated electron systems - from lattice models to realistic materials
• Importance of d-p Coulomb interaction for high T${}_C$ cuprates and other oxides
• Dynamical screening in La2CuO4
• Ground-state phase diagram of the three-band Hubbard model from density matrix embedding theory
• Spatial Correlations and the Insulating Phase of the High-$T_c$ Cuprates: Insights from a Configuration-Interaction-Based Solver for Dynamical Mean Field Theory
• Quantifying electronic correlation strength in a complex oxide: a combined DMFT and ARPES study of LaNiO${}_3$
• The 3-Band Hubbard-Model versus the 1-Band Model for the high-Tc Cuprates: Pairing Dynamics, Superconductivity and the Ground-State Phase Diagram
• Dynamics of photo-doped charge transfer insulators
• Superconducting stripes in the hole-doped three-band Hubbard model
• Pseudogap and superconductivity in two-dimensional doped charge-transfer insulators
• Differences in the quasiparticle dynamics for one-band and three-band cuprate models
• Role of oxygen-oxygen hopping in the three-band copper-oxide model: quasiparticle weight, metal insulator and magnetic phase boundaries, gap values and optical conductivity
• Emery vs. Hubbard model for cuprate superconductors: a Composite Operator Method study
• Failure of t-J models in describing doping evolution of spectral weight in x-ray scattering, optical and photoemission spectra of the cuprates
• Theory of oxygen K-edge x-ray absorption spectra of cuprates
• d_{3z^2-r^2} Orbital in high-Tc cuprates: Excitonic spectrum, metal-insulator phase diagram, optical conductivity and orbital character of doped holes
• Multiorbital effects in the functional renormalization group: A weak-coupling study of the Emery model
• Electronic Structure of Doped Lanthanum Cuprates Studied with Resonant Inelastic X-Ray Scattering
• Mott transitions with partially-filled correlated orbitals
• Impact of electron correlations on two-particle charge response in electron- and hole-doped cuprates
• In search for the pairing glue in cuprates by non-equilibrium optical spectroscopy
• Modulation of pairing interaction in Bi${}_2$Sr${}_2$CaCu${}_2$O${}_{8+\delta }$ by an O dopant: a density functional theory study
• Self Energy and Fluctuation Spectra in Cuprates: Comparing Optical and Photoemission Results
• Multiband $d-p$ model and self-doping in the electronic structure of Ba${}_2$IrO${}_4$
• Spin and charge fluctuations in the two-band Hubbard model
• Magnon-assisted dynamics of a hole doped in a cuprate superconductor
• Phenomenological Three-Orbital Spin-Fermion Model for Cuprates
• Dynamics of non-thermal states in optimally-doped $B{i}_{2}S{r}_{2}C{a}_{0.92}{Y}_{0.08}C{u}_2{O}_{8+\delta }$ revealed by mid-infrared three-pulse spectroscopy
• DMFT study on the electron-hole asymmetry of the electron correlation strength in the high Tc cuprates
• Ambipolar doping of a charge-transfer insulator in the Emery model
• Density Matrix Embedding Theory and Strongly Correlated Lattice Systems
• Inhomogeneous Electronic Distribution in High-Tc Cuprates
• Single-particle spectra and magnetic susceptibility in the Emery model: a dynamical mean-field perspective
• Strong Coupling Diagram Technique for the Three-Band Hubbard Model