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Physical Review Letters

Slave-boson mean field versus quantum Monte Carlo results for the Hubbard model

L. Lilly, A. Muramatsu, Werner R. Hanke

Published Sep 1, 1990• 97 citations
Publisher

Abstract

The one-band Hubbard model is considered in the slave-boson formulation first introduced by Kotliar and Ruckenstein. It is shown that a mean-field approximation, where broken-symmetry states appropriate for a bipartite lattice are allowed, leads to a quantitative agreement with quantum Monte Carlo results for local observables over a wide range of interactions (0U\ensuremath{\le}20t) and doping (0n〉\ensuremath{\le}1). Thus, our saddle-point solutions constitute an excellent starting point for a systematic treatment of fluctuations.

DOI
10.1103/physrevlett.65.1379

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The one-band Hubbard model is considered in the slave-boson formulation first introduced by Kotliar and Ruckenstein. It is shown that a mean-field approximation, where broken-symmetry states appropriate for a bipartite lattice are allowed, leads to a quantitative agreement with quantum Monte Carlo results for local observables over a wide range of interactions (0U\ensuremath{\le}20t) and doping (0n〉\ensuremath{\le}1). Thus, our saddle-point solutions constitute an excellent starting point for a systematic treatment of fluctuations.
We study the single-band Hubbard model via the functional-integral four-slave-boson formulation introduced by Kotliar and Ruckenstein, and show that a proper treatment of the continuum limit of the functional integral removes the inconsistencies due to an incorrect handling of this limit so far performed in the literature. It follows from our analysis that the Kotliar and Ruckenstein mean-field solution has to be abandoned in order to include fluctuation corrections in a systematic way. We show explicitly how to construct a suitable alternative solution which admits the inclusion of fluctuations.
We consider slave boson formulations of the Hubbard model, the t–J model and the Anderson model, in which spin and charge fermion degrees of freedom are represented by Bose fields. The approach has been applied to the Hubbard model generalizing the formulation of Kotliar and Ruckenstein. There the Gutzwiller solution is recovered as a saddle point. The method allows to find other types of mean field solutions in a systematic way. Dynamical correlation functions in mean field approximation as well as fluctuation contributions are also calculated.
We study the two-dimensional one-band Hubbard model on the square lattice through the spin rotation invariant Kotliar-Ruckenstein slave-boson method, with an emphasis on the electron-doped regime. The phase diagram determined within mean field approximation reveals three different magnetically ordered phases separated by first-order transitions, and a wide instability region as indicated by a negative compressibility. We show that this conundrum of the unstable mean field domain is resolved by spatially mixed phases of neighboring stable states. We also find charge density wave type instabilities in the antiferromagnetically ordered (AFM) state at wave vectors commensurate with the doping. The corresponding charge and spin density response functions are calculated from a Gaussian fluctuations formalism about a magnetic saddle point, for which we provide a detailed derivation. Further, we present density and spin excitation spectra in the AFM phase, allowing for a quantitative calculation of the spin wave parameters, the gap in the longitudinal spin excitation spectrum, and the density excitations in the upper Hubbard band.
Based on the Kotliar--Ruckenstein slave-boson scheme, we develop a configuration-interaction (CI) approach that is suitable to evaluate energy corrections for symmetry-broken saddle-point solutions. The theory is applied to spin-polaron states in the Hubbard model and compared with analogous results obtained within the Hartree--Fock approximation. In addition, we show that within the infinite D\mathcal{D}D prescription of the Gutzwiller method a CI approach does not correct the variational result since in the thermodynamic limit matrix elements between different inhomogeneous states vanish due to an ``orthogonality catastrophe.''
We revisit the Kotliar-Ruckenstein (KR) slave boson saddle point evaluation for a two-site correlated electron model. As the model can be solved analytically, it is possible to compare the KR saddle point results with the exact many-particle levels. The considered two-site cluster mimics an infinite-UUU single-impurity Anderson model with a nearest-neighbor Coulomb interaction: one site is strongly correlated with an infinite local Coulomb repulsion, which hybridizes with the second site, on which the local Coulomb repulsion vanishes. Making use of the flexibility of the representation, we introduce appropriate weight factors in the KR saddle point scheme. Ground-state and all excitation levels agree with the exact diagonalization results. Thermodynamics and correlation functions may be recovered in a suitably renormalized saddle point evaluation.