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arXiv:cond-mat/9801325 · Physical Review Letters

Dynamical Mean-Field Theory for Doped Antiferromagnets

Marcus Fleck, A. I. Liechtenstein, Andrzej M. Oleś, Lars Hedin, Vladimir I. Anisimov

Published Mar 16, 1998• 39 citations
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Abstract

We have generalized the dynamical mean-field theory to study the doping dependence of the crossover from antiferromagnetic to short-range order modeled by an incommensurate spin density wave in the Hubbard model. The local self-energy which includes spin fluctuations gives quasiparticle weights and spectral properties in good agreement with quantum Monte Carlo and exact diagonalization data in two dimensions. The spectra at finite doping are characterized by a Mott-Hubbard ``gap'' accompanied by a pseudogap induced by the local spin order.

DOI
10.1103/physrevlett.80.2393

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We have generalized the dynamical mean-field theory to study the doping dependence of the crossover from antiferromagnetic to short-range order modeled by an incommensurate spin density wave in the Hubbard model. The local self-energy which includes spin fluctuations gives quasiparticle weights and spectral properties in good agreement with quantum Monte Carlo and exact diagonalization data in two dimensions. The spectra at finite doping are characterized by a Mott-Hubbard ``gap'' accompanied by a pseudogap induced by the local spin order.
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 study the electronic state of the doped Mott-Hubbard insulator within the dynamical mean field theory. The evolution of the finite temperature spectral functions as a function of doping show large redistributions of spectral weight in both antiferromagnetic and paramagnetic phases. In particular, a metallic antiferromagnetic state is obtained with a low frequency Slater-splitted quasiparticle peak coexisting with Hubbard bands. In the high temperature paramagnetic metallic phase, upon reducing doping, the system has a crossover through a ``bad metal'' state characterized by an anomalous shift of the quasiparticle peak away from the Fermi energy. We find that the charge compressibility of the antiferromagnetic metal is dramatically enhanced upon approaching the second order N\'eel line.
Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.
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.
We investigate the highly incoherent regime of hole-doped two-dimensional Mott-Hubbard insulators at moderately small doping $\ensuremath{\delta}$ and temperatures $\ensuremath{\gtrsim}0.1J,$ where J is the exchange coupling. Within an extended dynamical mean-field theory of the $t\ensuremath{-}J$ model and a generalized noncrossing approximation we calculate the single-particle spectral function, the dynamical susceptibility, and thermodynamic and transport quantities. Short-ranged antiferromagnetic fluctuations lead to strongly incoherent single-particle dynamics, large entropy, and large electrical resistivity. At low doping a pseudogap is found to open up in both the single-particle and spin excitation spectra, leading to a decrease in entropy and resistivity. The Hall coefficient changes sign to positive values upon lowering the doping level and increases inversely proportional to $\ensuremath{\delta}.$
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.