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arXiv:cond-mat/0502565 · Physical Review B

Pseudogap induced by short-range spin correlations in a doped Mott insulator

Bumsoo Kyung, S. S. Kancharla, David Sénéchal, A.–M. S. Tremblay, Marcello Civelli, Gabriel Kotliar

Published Apr 13, 2006• 269 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1103/physrevb.73.165114

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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.
We study the relationship between the pseudogap and Fermi-surface topology in the two-dimensional Hubbard model by means of the cellular dynamical mean-field theory. We find two possible mean-field metallic solutions on a broad range of interactions, doping, and frustration: a conventional renormalized metal and an unconventional pseudogap metal. At half filling, the conventional metal is more stable and displays an interaction-driven Mott metal-insulator transition. However, for large interactions and small doping, a region that is relevant for cuprates, the pseudogap phase becomes the ground state. By increasing doping, we show that a first-order transition from the pseudogap to the conventional metal is tied to a change of the Fermi surface from hole- to electronlike, unveiling a correlation-driven mechanism for a Lifshitz transition. This explains the puzzling link between the pseudogap phase and Fermi surface topology that has been pointed out in recent experiments.
Cluster perturbation theory is applied to the two-dimensional Hubbard $t\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}{t}^{\ensuremath{'}\ensuremath{'}}\ensuremath{-}U$ model to obtain doping and temperature-dependent electronic spectral function with $4\ifmmode\times\else\texttimes\fi{}4$ and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I-like electronic dispersion becomes more pronounced, the Fermi arc turns into a large Fermi surface and the pseudogap closes. It is demonstrated how static spin correlations impact the overall dispersion's shape and how accounting for dynamic contributions leads to momentum-dependent spectral weight at the Fermi surface and broadening effects.
Abstract We investigate the interplay between the pseudogap state and d-wave superconductivity in the two-dimensional doped Hubbard model by employing an eight-site cluster dynamical mean-field theory method. By tuning electron hopping parameters, the strong-coupling pseudogap in the two-dimensional Hubbard model can be either enhanced or suppressed in the doped Mott insulator regime. We find that in underdoped cases, the closing of pseudogap leads to a significant enhancement of superconductivity, indicating competition between the two in the underdoped regime. In contrast, at large dopings, suppressing the pseudogap is accompanied by a concurrent decrease in the superconducting transition temperature T c, which can be attributed to a reduction in antiferromagnetic correlations behind both the pseudogap and superconductivity. We elucidate this evolving relationship between pseudogap and superconductivity across different doping regimes.
We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale $\ensuremath{\xi}$ via a momentum dependent external self-energy ${\ensuremath{\Sigma}}_{\mathbf{k}}$. This external self-energy describes nonlocal dynamical correlations induced by the short-ranged collective spin density wave--like antiferromagnetic spin (or the charge density wave--like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with a finite correlation length. This generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with the nearest and the next nearest neighbor hopping. The effective single impurity problem in this generalized $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ is solved by the numerical renormalization group. Both types of the strongly correlated metals, namely: (i) The doped Mott insulator and (ii) the case of the bandwidth $W\ensuremath{\lesssim}U$ (UUU---value of the local Coulomb interaction) are considered. The densities of states, the spectral functions, and the angle resolved photoemission spectra calculated within the $\mathrm{DMFT}+{\ensuremath{\Sigma}}_{\mathbf{k}}$ show a pseudogap formation near the Fermi level of the quasiparticle band.
We apply the recently developed slave fermion approach to study the doped Mott insulator in the one-band Hubbard and Hubbard-Heisenberg models. Our results produce several subtle features in the electron spectra and confirm the key role of antiferromagnetic (AFM) correlations in the appearance of the pseudogap. Upon hole doping, the electron spectra exhibit a single peak near the Fermi energy in the local approximation of the Hubbard model where AFM correlations are not included. When AFM correlations are included through an explicit mean-field Heisenberg interaction, a second peak emerges at slightly lower energy and pushes the other peak to higher energy, so that a pseudogap emerges between the two peaks at small doping. Both peaks grow rapidly with increasing doping and eventually merge together, where the pseudogap no longer exists. Detailed analyses of the spectral evolution with doping and the strength of the Heisenberg interaction confirm that the lower-energy peak comes from a polaronic mechanism due to the holon-spinon interaction in the AFM-correlated background and the higher-energy peak arises from the holon hybridization to form the electron quasiparticles. Thus, the pseudogap arises from the interplay of the polaronic and hybridization mechanisms. Our results are in good agreement with previous numerical calculations using the dynamical mean-field theory and its cluster extensions, but give a clearer picture of the underlying physics. Our work provides a promising perspective for clarifying the nature of doped Mott insulators and may serve as a starting point for more elaborate investigations in the future.
We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a (momentum dependent) ``external'' self-energy Σ_k. This external self-energy describes non-local dynamical correlations induced by short-ranged collective SDW-like antiferromagnetic spin (or CDW-like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with finite correlation length. This generalized DMFT+Σ_k approach is used for the numerical solution of the weakly doped one--band Hubbard model with repulsive Coulomb interaction on a square lattice with nearest and next nearest neighbour hopping. The effective single impurity problem in this generalized DMFT+Σ_k is solved by numerical renormalization group (NRG). Both types of strongly correlated metals, namely (i) doped Mott insulator and (ii) the case of bandwidth W<=U (U - value of local Coulomb interaction) are considered. Densities of states, spectral functions and ARPES spectra calculated within DMFT+Σ_k show a pseudogap formation near the Fermi level of the quasiparticle band.