Pseudogap behaviour in Bi2212: Results of Generalized DMFT Approach

Abstract

To describe pseudogap regime in Bi2212 we employ novel generalized ab initio LDA+DMFT+Sigma_k hybrid scheme. This scheme is based on the strategy of one of the most powerfull computational tool for real correlated materials LDA+DMFT. Here the LDA+DMFT equations are supplied by an additional (momentum dependent) self-energy Sigma_k in the spirit of our recently proposed DMFT+Sigma_k approach, accounting for pseudogap fluctuations. In the present model Sigma_k describes non-local correlations induced by short-ranged collective Heisenberg-like antiferromagnetic spin fluctuations. The effective single impurity problem of the DMFT is solved by NRG. Material specific model parameters for effective x2-y2 orbital of Cu-3d shell of Bi2212 compound, e.g. hopping integrals, local Coulomb interaction U and pseudogap potential Delta were obtained within LDA and LDA+DMFT. We report theoretical LDA+DMFT+Sigma_k quasiparticle bands dispersion and damping, Fermi surface renormalization, momentum anisotropy of (quasi) static scattering, densities of states, spectral densities and angular resolved photoemission (ARPES) spectra accounting for pseudogap and bilayer splitting effects for normal (slightly) underdoped Bi2212 (delta=0.15). We show that LDA+DMFT+Sigma_k successfully describes strong (pseudogap) scattering close to Brillouin zone boundaries. Our calculated LDA+DMFT+Sigma_k Fermi surfaces and ARPES spectra in presence of the pseudogap fluctuations are almost insensitive to the bilayer splitting strength. The LDA-calculated value of bilayer splitting is found to be rather small to describe experimentally observed peak-dip-hump structure.

arXiv comment11 pages, 10 figures, 1 table

References in corpus (36)

• Maximally-localized generalized Wannier functions for composite energy bands
• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• The pseudogap in high-temperature superconductors: an experimental survey
• Quantum Cluster Theories
• LDA energy bands, low-energy Hamiltonians, t', t'', t_{perp}(k), and J_{perp}
• Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
• Cellular Dynamical Mean Field Approach to Strongly Correlated Systems
• First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory
• Anomalous Normal-State Properties of High-T${}_c$ Superconductors -- Intrinsic Properties of Strongly Correlated Electron Systems?
• The spectral weight of the Hubbard model through cluster perturbation theory
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Full orbital calculation scheme for materials with strongly correlated electrons
• Numerical Renormalization Group Calculations for the Self-energy of the impurity Anderson model
• Hot Spots and Pseudogaps for Hole- and Electron-Doped High-Temperature Superconductors
• Pseudogap and high-temperature superconductivity from weak to strong coupling. Towards quantitative theory
• Temperature Dependent Scattering Rates at the Fermi Surface of Optimally Doped Bi 2212
• Microscopic theory of weak pseudogap behavior in the underdoped cuprate superconductors I: General theory and quasiparticle properties
• Pseudogaps in Strongly Correlated Metals: A generalized dynamical mean-field theory approach
• What angle-resolved photemission experiments tell about the microscopic theory for high-temperature superconductors
• Pseudogap and Spin Fluctuations in the Normal State of Electron-Doped Cuprates
• Momentum anisotropy of the scattering rate in cuprate superconductors
• Measuring the gap in ARPES experiments
• Cluster Dynamical Mean-Field Theory of the density-driven Mott transition in the one-dimensional Hubbard model
• Many-Body Approximation Scheme Beyond GW
• Realistic modeling of strongly correlated electron systems: An introduction to the LDA+DMFT approach
• ARPES Spectra of the Hubbard model
• Quasiparticle anisotropy and pseudogap formation from the weak-coupling renormalization group point of view
• Influence of the Third Dimension of Quasi-Two-Dimensional Cuprate Superconductors on Angle-Resolved Photoemission Spectra
• Pseudogap at hot spots in the two-dimensional Hubbard model at weak coupling
• Effective Lorentz Force due to Small-angle Impurity Scattering: Magnetotransport in High-Tc Superconductors
• "Destruction" of the fermi surface due to pseudogap fluctuations in strongly correlated systems
• Pseudogaps in the t-J model: Extended DMFT study
• Pseudogaps in an Incoherent Metal
• Evidence for CuO conducting band splitting in the nodal direction of Bi-2212
• Pseudogap in Doped Mott Insulators is the Near-neighbour Analogue of the Mott Gap
• Spectral functions and pseudogap in the t-J model

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