d_{3z^2-r^2} Orbital in high-Tc cuprates: Excitonic spectrum, metal-insulator phase diagram, optical conductivity and orbital character of doped holes

Abstract

The single-site dynamical mean-field approximation is used to solve a model of high-Tc cuprate superconductors which includes both d_{x^2-y^2} and d_{3z^2-r^2} orbitals on the Cu as well as the relevant oxygen states. Both T (with apical oxygen) and T' (without apical oxygen) crystal structures are considered. In both phases, inclusion of the d_{3z^2-r^2} orbital is found to broaden the range of stability of the charge transfer insulating phase. For equal charge transfer energies and interaction strengths, the T' phase is found to be less strongly correlated than the T phase. For both structures, d-d excitons are found within the charge-transfer gap. However, for all physically relevant dopings the Fermi surface is found to have only one sheet and the admixture of d_{3z^2-r^2} into ground state wave function remains negligible (<5%). Inclusion of the extra orbitals is found not to resolve the discrepancy between computed and observed conductivity in the insulating state.

arXiv comment11 pages, 11 figures

References in corpus (31)

• Correlated Electrons in High Temperature Superconductors
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Continuous-time Monte Carlo methods for quantum impurity models
• Resonant Inelastic X-ray Scattering Studies of Elementary Excitations
• A continuous-time solver for quantum impurity models
• LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
• The ALPS project release 1.3: open source software for strongly correlated systems
• Progress and perspectives on the electron-doped cuprates
• The Physics Behind High-Temperature Superconducting Cuprates: The "Plain Vanilla" Version Of RVB
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• Orbital-selective Mott transitions in the degenerate Hubbard model
• An SU(2) Formulation of the t-J model: Application to Underdoped Cuprates
• Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor
• Strength of Correlations in electron and hole doped cuprates
• Apical oxygens and correlation strength in electron and hole doped copper oxides
• Optical properties of correlated materials -- Generalized Peierls approach and its application to VO2
• 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
• A new hybrid LDA and Generalized Tight-Binding method for the electronic structure calculations of strongly correlated electron systems
• High-spin polaron in lightly doped CuO${}_2$ planes
• 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
• Correlation Strength, Gaps and Particle-Hole Asymmetry in High-Tc Cuprates: a Dynamical Mean Field Study of the Three-Band Copper-Oxide Model
• Unraveling the Nature of Charge Excitations in La${}_2$CuO${}_4$ with Momentum-Resolved Cu $K$-edge Resonant Inelastic X-ray Scattering
• Low energy physical properties of high-Tc superconducting Cu oxides: A comparison between the resonating valence bond and experiments
• The 3-Band Hubbard-Model versus the 1-Band Model for the high-Tc Cuprates: Pairing Dynamics, Superconductivity and the Ground-State Phase Diagram
• Resonant inelastic x-ray scattering in electronically quasi-zero-dimensional CuB2O4
• 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
• 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

Cited by in corpus (18)

• Origin of the material dependence of $T_c$ in the single-layered cuprates
• Orbital mixture effect on the Fermi surface-$T_c$ correlation in the cuprate superconductors --- bilayer vs single layer
• 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${}_2$
• Pseudogap and superconductivity in two-dimensional doped charge-transfer insulators
• Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc
• High-frequency asymptotic behavior of self-energies in quantum impurity models
• Electronic structure and two-band superconductivity in unconventional high-$T_c$ cuprates Ba${}_2$CuO${}_{3+\delta }$
• Metal-insulator transition in copper oxides induced by apex displacements
• Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
• Superconducting dome with $extended$ $s$-$wave$ pairing symmetry in the heavily hole-overdoped copper-oxide planes
• Extremely correlated fermi liquid of $t$-$J$ model in two dimensions
• Optical conductivity due to orbital polarons in systems with orbital degeneracy
• Resonant Inelastic X-ray Scattering Study of Electron-Exciton Coupling in High-Tc Cuprates
• On-site Atractive Multiorbital Hamiltonian for $d$-Wave Superconductors
• First-principles band structure and FLEX approach to the pressure effect on $T_c$ of the cuprate superconductors
• Ambipolar doping of a charge-transfer insulator in the Emery model
• Mott insulating phases and magnetism of fermions in a double-well optical lattice