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International Journal of Modern Physics B

MODELS OF CORRELATED FERMIONS IN THE SLAVE BOSON APPROXIMATION FOR THE COPPER OXIDE SYSTEMS

P. Entel, S. N. Behera, J. Zieliński, E. Kaufmann

Published Jan 1, 1991• 8 citations
Publisher

Abstract

In this short communication we discuss results obtained for the single and multi-orbital Hubbard models within the mean-field-slave-boson description of correlated fermions on a square lattice. For appropriate parameter values the results can be used to mimic some of the normal state properties of the copper oxide systems. Results for the single and multi-orbital models differ in a very characteristic manner. In the single band case the phase diagram consists of metallic (U<Uc) and strongly correlated (U>Uc) regions, which are clearly seperated at half filling (Uc being the critical value of the Brinkman-Rice transition1)). Upon doping the transition between these two phases smoothes out and for large enough doping (δ>0.2, δ=1−n) the system behaves as a weakly correlated metal. In the multi-oibital case depending on the input energies for the orbitals the transition to the insulating state can be either of the Brinkman-Rice or the charge-transfer type. Similar to the single band case doping causes rapid loss of correlation effects. We tentatively conclude that the Kondo-type of effect is absent in the multi-orbital model.

DOI
10.1142/s0217979291000171

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In this short communication we discuss results obtained for the single and multi-orbital Hubbard models within the mean-field-slave-boson description of correlated fermions on a square lattice. For appropriate parameter values the results can be used to mimic some of the normal state properties of the copper oxide systems. Results for the single and multi-orbital models differ in a very characteristic manner. In the single band case the phase diagram consists of metallic (U<Uc) and strongly correlated (U>Uc) regions, which are clearly seperated at half filling (Uc being the critical value of the Brinkman-Rice transition1)). Upon doping the transition between these two phases smoothes out and for large enough doping (δ>0.2, δ=1−n) the system behaves as a weakly correlated metal. In the multi-oibital case depending on the input energies for the orbitals the transition to the insulating state can be either of the Brinkman-Rice or the charge-transfer type. Similar to the single band case doping causes rapid loss of correlation effects. We tentatively conclude that the Kondo-type of effect is absent in the multi-orbital model.
We use the Kotliar-Ruckenstein slave boson technique to treat the strong correlation of the Hubbard model. In a first part we discuss the metal to insulator transition that is occurring on the honeycomb lattice at half filling. We find the critical value for the interaction strength to be U/t=3.1. Above it a gap opens in the spectrum which behaves like (U-U_c) in the vicinity of the transition, and like U for strong coupling. In a second part we calculate the phase diagram of the Hubbard model on the square lattice at finite temperature. The Mermin-Wagner theorem is fulfilled in the largest part of the phase diagram. In the strong coupling regime, the uniform magnetic susceptibility shows a maximum in its doping dependence in agreement with numerical simulations.
We consider a single copper oxide plane with infinite Hubbard U on the copper sites and direct oxygen-oxygen and copper-oxygen overlaps as a model for high-Tc{\mathit{T}}_{\mathit{c}}Tc​ materials. Using a slave-boson representation, we find a region of parameter space with a charge-transfer-type metal-insulator transition at zero doping, i.e, half-filling in a mean-field limit. Performing a 1/N expansion we calculate the photoemission and inverse-photoemission spectra near the transition for both the n-type and p-type high-Tc{\mathit{T}}_{\mathit{c}}Tc​ materials using the sudden approximation.
Slave boson mean-field studies of the ground state of the Hubbard model with correlated hopping were performed. The approach qualitatively recovers the exact results for the case when the hopping integral ttt equals the correlated hopping integral X.X.X. The phase diagram for the strongly correlated state with only singly occupied sites, the weakly correlated state, where single and double occupation is allowed, and for the superconducting state, was determined for any value of XXX and any electron concentration n.n.n. At the half-filled band (n=1)(n=1)(n=1) a direct transition from the superconductor to the Mott insulator was found. In the region of strong correlations the superconducting solution is stable for nnn close to 1, in contrast to the case of weak correlations, in which superconductivity occurs at $n\ensuremath{\approx}0$ and $n\ensuremath{\approx}2.$ We have also found that strong correlations change the characteristics of the superconducting phase, e.g., the gap in the excitation spectrum exhibits a nonexponential dependence on the on-site Coulomb integral UUU close to the phase-transition point.
The three-band model relevant to high-temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per unit cell the metal/charge-transfer-insulator phase diagram is determined. The electron spectral function, optical conductivity, and quasiparticle mass enhancement are computed as functions of electron and hole doping for parameters such that at one hole per cell the paramagnetic phase is insulating and for parameters such that at one hole per unit cell the paramagnetic phase is metallic. The optical conductivity is computed using the Peierls phase approximation for the optical matrix elements. The calculation includes the physics of ``Zhang-Rice singlets.'' The effects of antiferromagnetism on the magnitude of the gap and the relation between correlation strength and doping-induced changes in state density are determined. Three-band and one-band models are compared. The two models are found to yield quantitatively consistent results for all energies less than about 4 eV including energies in the vicinity of the charge-transfer gap. Parameters on the insulating side of the metal/charge-transfer insulator phase boundary lead to gaps which are too large and near-gap conductivities which are too small relative to data. The results place the cuprates clearly in the intermediate correlation regime, on the paramagnetic metal side of the metal/charge-transfer insulator phase boundary.
We study a two-band Hubbard model with one copper and one oxygen orbital in each cell. These orbitals are hybridized within a cell, and different cells are coupled via oxygen-oxygen hopping. The Hubbard interaction is set equal to zero on oxygen and infinity on copper. We show that, for sufficiently small oxygen bandwidth, the system is insulating at half filling whatever the value of \ensuremath{\Delta} (the energy difference between the oxygen and copper orbitals). This contradicts the prediction of the slave-boson mean-field theory that there is a metal-insulator transition at a fixed value of \ensuremath{\Delta}=${\mathrm{\ensuremath{\Delta}}}_{\mathit{c}}$, independent of the oxygen bandwidth in the narrow-bandwidth limit. In order to understand this discrepancy, we study a generalized model in which the degeneracy of the copper orbitals in a given cell is N. Slave-boson mean-field theory is exact in the N\ensuremath{\rightarrow}\ensuremath{\infty} limit, indicating that there is a phase transition at some value of N. This question is studied further by a combination of 1/N expansion around the N=\ensuremath{\infty} point, and numerical diagonalization up to N=16. It is found that for the physical case of N=2, the results obtained from the large-N theory are qualitatively and quantitatively reliable only for \ensuremath{\Delta}>${\mathrm{\ensuremath{\Delta}}}_{\mathit{c}}$, i.e., when there is no Bose condensation in the N\ensuremath{\rightarrow}\ensuremath{\infty} limit.
The multiorbital Hubbard model is expressed in terms of quantum phase variables (``slave rotors'') conjugate to the local charge, and of auxiliary fermions, providing an economical representation of the Hilbert space of strongly correlated systems. When the phase variables are treated in a local mean-field manner, similar results to the dynamical mean-field theory are obtained, namely a Brinkman-Rice transition at commensurate fillings together with a ``preformed'' Mott gap in the single-particle density of states. The slave-rotor formalism allows to go beyond the local description and take into account spatial correlations, following an analogy to the superfluid-insulator transition of bosonic systems. We find that the divergence of the effective mass at the metal-insulator transition is suppressed by short range magnetic correlations in finite-dimensional systems. Furthermore, the strict separation of energy scales between the Fermi-liquid coherence scale and the Mott gap, found in the local picture, holds only approximately in finite dimensions, due to the existence of low-energy collective modes related to zero-sound.