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Physical review. B, Condensed matter

Spectral properties and pseudogap in the stripe phases of cuprate superconductors

Marcus Fleck, Alexander I. Lichtenstein, Andrzej M. Oleś

Published Sep 13, 2001• 67 citations
Publisher

Abstract

Using an exact diagonalization method within the dynamical mean-field theory we analyze the stable stripe structures found in the two-dimensional Hubbard model doped by $0.03<\ensuremath{\delta}<0.2$ holes, and discuss a scenario for stripe melting. Our results demonstrate the importance of dynamical correlations which lead to the metallic stripes, in contrast to the Hartree-Fock picture. The spectral functions show a coexistence of the coherent quasiparticles (polaron band) close to the Fermi energy \ensuremath{\mu}, and incoherent states at lower energies. The quasiparticles in the polaron band depend on hole doping, and hybridize strongly with the partly filled mid-gap band within the Mott-Hubbard gap, induced by stripe order. This explains the origin of nondispersive quasiparticles close to the Fermi energy \ensuremath{\mu}, observed near the $X=(\ensuremath{\pi},0)$ and $Y=(0,\ensuremath{\pi})$ points for the samples with coexisting (10) and (01) stripes. We reproduce the gap which opens for charge excitations at the $S=(\ensuremath{\pi}/2,\ensuremath{\pi}/2)$ point, observed in the angle-resolved photoemission experiments for ${\mathrm{La}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{CuO}}_{4},$ and a pseudogap in the integrated spectral density pinned to \ensuremath{\mu}. Finally, we show that large spectral weight close to $\ensuremath{\mu}$ moves from the X to the S point when the second neighbor hopping element increases, and the (01) stripe phase is destabilized by kink fluctuations.

DOI
10.1103/physrevb.64.134528

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Using an exact diagonalization method within the dynamical mean-field theory we analyze the stable stripe structures found in the two-dimensional Hubbard model doped by 0.03<\ensuremathδ<0.20.03<\ensuremath{\delta}<0.20.03<\ensuremathδ<0.2 holes, and discuss a scenario for stripe melting. Our results demonstrate the importance of dynamical correlations which lead to the metallic stripes, in contrast to the Hartree-Fock picture. The spectral functions show a coexistence of the coherent quasiparticles (polaron band) close to the Fermi energy \ensuremath{\mu}, and incoherent states at lower energies. The quasiparticles in the polaron band depend on hole doping, and hybridize strongly with the partly filled mid-gap band within the Mott-Hubbard gap, induced by stripe order. This explains the origin of nondispersive quasiparticles close to the Fermi energy \ensuremath{\mu}, observed near the X=(\ensuremathπ,0)X=(\ensuremath{\pi},0)X=(\ensuremathπ,0) and Y=(0,\ensuremathπ)Y=(0,\ensuremath{\pi})Y=(0,\ensuremathπ) points for the samples with coexisting (10) and (01) stripes. We reproduce the gap which opens for charge excitations at the S=(\ensuremathπ/2,\ensuremathπ/2)S=(\ensuremath{\pi}/2,\ensuremath{\pi}/2)S=(\ensuremathπ/2,\ensuremathπ/2) point, observed in the angle-resolved photoemission experiments for La2\ensuremath−xSrxCuO4,{\mathrm{La}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{CuO}}_{4},La2\ensuremath−x​Srx​CuO4​, and a pseudogap in the integrated spectral density pinned to \ensuremath{\mu}. Finally, we show that large spectral weight close to \ensuremathμ\ensuremath{\mu}\ensuremathμ moves from the X to the S point when the second neighbor hopping element increases, and the (01) stripe phase is destabilized by kink fluctuations.
We study electronic structure of hole- and electron-doped Mott insulators in the two-dimensional Hubbard model to reach a unified picture for the normal state of cuprate high-Tc{T}_{c}Tc​ superconductors. By using a cluster extension of the dynamical mean-field theory, we demonstrate that structure of coexisting zeros and poles of the single-particle Green's function holds the key to understand Mott physics in the underdoped region. We show evidence for the emergence of non-Fermi-liquid phase caused by the topological quantum phase transition of Fermi surface by analyzing low-energy charge dynamics. The spectra calculated in a wide range of energy and momentum reproduce various anomalous properties observed in experiments for the high-Tc{T}_{c}Tc​ cuprates. Our results reveal that the pseudogap in hole-doped cuprates has a ddd-wavelike structure only below the Fermi level while it retains non-ddd-wave structure with a fully opened gap above the Fermi energy even in the nodal direction due to a zero surface extending over the entire Brillouin zone. In addition to the non-ddd-wave pseudogap, the present comprehensive identifications of the spectral asymmetry as to the Fermi energy, the Fermi arc, and the back-bending behavior of the dispersion, waterfall, and low-energy kink, in agreement with the experimental anomalies of the cuprates, do not support that these originate from (the precursors of) symmetry breakings such as the preformed pairing and the ddd-density-wave fluctuations, but support that they are direct consequences of the proximity to the Mott insulator. Several possible experiments are further proposed to prove or disprove our zero mechanism.
We study the electronic structure within a system of phase-decoupled one-dimensional superconductors coexisting with stripe spin and charge-density-wave order. This system has a nodal Fermi surface (Fermi arc) in the form of a hole pocket and an antinodal pseudogap. The spectral function in the antinodes is approximately particle-hole symmetric contrary to the gapped regions just outside the pocket. We find that states at the Fermi energy are extended whereas states near the pseudogap energy have localization lengths as short as the interstripe spacing. We consider pairing which has either local ddd-wave or sss-wave symmetry and find similar results in both cases, consistent with the pseudogap being an effect of local pair correlations. We suggest that this state is a stripe-ordered caricature of the pseudogap phase in underdoped cuprates with coexisting spin-, charge-, and pair-density-wave correlations. Lastly, we also model a superconducting state which (1) evolves smoothly from the pseudogap state, (2) has a signature subgap peak in the density of states, and (3) has the coherent pair density concentrated to the nodal region.
Quantum Monte Carlo (QMC) and maximum-entropy techniques are used to study the spectral function $A(\mathbf{p},\ensuremath{\omega})$ of the one-band Hubbard model with strong coupling including a next-nearest-neighbor electronic hopping with amplitude ${t}^{\ensuremath{'}}/t=\ensuremath{-}0.35$. These values of parameters are chosen to improve the comparison of the Hubbard model with angle-resolved photoemission (ARPES) data for Sr2CuO2Cl2{\mathrm{Sr}}_{2}{\mathrm{CuO}}_{2}{\mathrm{Cl}}_{2}Sr2​CuO2​Cl2​. A narrow quasiparticle (qp) band is observed in the QMC analysis at the temperature of the simulation T=t/3T=t/3T=t/3, both at and away from half-filling. Such a narrow band produces a large accumulation of weight in the density of states at the top of the valence band. As the electronic density 〈n〉〈n〉〈n〉 decreases further away from half-filling, the chemical potential travels through this energy window with a large number of states, and by $〈n〉\ensuremath{\sim}0.70$ it has crossed it entirely. The region near momentum $(0,\ensuremath{\pi})$ and $(\ensuremath{\pi},0)$ in the spectral function is more sensitive to doping than momenta along the diagonal from (0,0)(0,0)(0,0) to $(\ensuremath{\pi},\ensuremath{\pi})$. The evolution with hole density of the quasiparticle dispersion contains some of the features observed in recent ARPES data in the underdoped regime. For sufficiently large hole densities the ``flat'' bands at $(\ensuremath{\pi},0)$ cross the Fermi energy, a prediction that could be tested with ARPES techniques applied to overdoped cuprates. The population of the qp band introduces a hidden density in the system which produces interesting consequences when the quasiparticles are assumed to interact through antiferromagnetic fluctuations and studied with the BCS gap-equation formalism. In particular, a region of extended sss-wave character is found to compete with the ddd wave in the overdoped regime, i.e., when the chemical potential has almost entirely crossed the qp band as 〈n〉〈n〉〈n〉 is reduced. The present study also shows that previous ``real-space'' pairing theories for the cuprates, such as the antiferromagnetic Van Hove scenario, originally constructed based on information gathered at half-filling, do not change their predictions if hole dispersions resembling noninteracting electrons with renormalized parameters are used.
The effect of doping in the two-dimensional Hubbard model is studied within finite-temperature exact diagonalization combined with cluster dynamical mean-field theory. By employing a mixed basis involving cluster sites and bath molecular orbitals for the projection of the lattice Green's function onto $2\ifmmode\times\else\texttimes\fi{}2$ clusters, a considerably more accurate description of the low-frequency properties of the self-energy is achieved than in a pure site picture. To evaluate the phase diagram, the transition from Fermi-liquid to non-Fermi-liquid behavior for decreasing hole doping is studied as a function of Coulomb energy, next-nearest-neighbor hopping, and temperature. The self-energy component ${\ensuremath{\Sigma}}_{X}$ associated with $X=(\ensuremath{\pi},0)$ is shown to develop a collective mode above EF{E}_{F}EF​, whose energy and strength exhibits a distinct dispersion with doping. This low-energy excitation gives rise to non-Fermi-liquid behavior as the hole doping decreases below a critical value ${\ensuremath{\delta}}_{c}$, and to an increasing particle-hole asymmetry, in agreement with recent photoemission data. This behavior is consistent with the removal of spectral weight from electron states above EF{E}_{F}EF​ and the opening of a pseudogap, which increases with decreasing doping. The phase diagram reveals that ${\ensuremath{\delta}}_{c}\ensuremath{\approx}0.15\dots{}0.20$ for various system parameters. For electron doping, the collective mode of ${\ensuremath{\Sigma}}_{X}(\ensuremath{\omega})$ and the concomitant pseudogap are located below the Fermi energy, which is consistent with the removal of spectral weight from the hole states just below EF{E}_{F}EF​. The critical doping, which marks the onset of non-Fermi-liquid behavior, is systematically smaller than for hole doping.
We investigate the doped two-dimensional Hubbard model at finite temperature using controlled diagrammatic Monte Carlo calculations allowing for the computation of spectral properties in the infinite-size limit and, crucially, with arbitrary momentum resolution. We show that three distinct regimes are found as a function of doping and interaction strength, corresponding to a weakly correlated metal with properties close to those of the non-interacting system, a correlated metal with strong interaction effects including a reshaping of the Fermi surface, and a pseudogap regime at low doping in which quasiparticle excitations are selectively destroyed near the antinodal regions of momentum space. We study the physical mechanism leading to the pseudogap and show that it forms both at weak coupling when the magnetic correlation length is large and at strong coupling when it is shorter. In both cases, we show that spin-fluctuation theory can be modified in order to account for the behavior of the non-local component of the self-energy. We discuss the fate of the pseudogap as temperature goes to zero and show that, remarkably, this regime extrapolates precisely to the ordered stripe phase found by ground-state methods. This handshake between finite temperature and ground-state results significantly advances the elaboration of a comprehensive picture of the physics of the doped Hubbard model.
We study the evolution of a Mott-Hubbard insulator into a correlated metal upon doping in the two-dimensional Hubbard model using the cellular dynamical mean-field theory. Short-range spin correlations create two additional bands apart from the familiar Hubbard bands in the spectral function. Even a tiny doping into this insulator causes a jump of the Fermi energy to one of these additional bands and an immediate momentum-dependent suppression of the spectral weight at this Fermi energy. The pseudogap is closely tied to the existence of these bands. This suggests a strong-coupling mechanism that arises from short-range spin correlations and large scattering rates for the pseudogap phenomenon seen in several cuprates.