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Journal of Physics Condensed Matter

A slave-boson approach to ferromagnetism in the large-U Hubbard model

B. Möller, K. Doll, Raymond Frésard

Published Jul 5, 1993• 28 citations
Publisher

Abstract

The authors determine the ground-state phase diagram of the Hubbard model on the square lattice allowing for homogeneous spiral, antiferromagnetic, ferromagnetic and paramagnetic phases in the overall parameter range. This is obtained from a saddle-point approximation of a spin-rotation-invariant form of the slave-boson representation introduced by Kotliar and Ruckenstein (1986). In addition they determine analytically the transition point for infinite repulsive interaction strength between the Nagaoka state and the paramagnetic state on any bipartite lattice.

DOI
10.1088/0953-8984/5/27/029

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The authors determine the ground-state phase diagram of the Hubbard model on the square lattice allowing for homogeneous spiral, antiferromagnetic, ferromagnetic and paramagnetic phases in the overall parameter range. This is obtained from a saddle-point approximation of a spin-rotation-invariant form of the slave-boson representation introduced by Kotliar and Ruckenstein (1986). In addition they determine analytically the transition point for infinite repulsive interaction strength between the Nagaoka state and the paramagnetic state on any bipartite lattice.
The authors determine the ground state phase diagram of the Hubbard model on the square lattice allowing for homogeneous spiral, antiferromagnetic, ferromagnetic and paramagnetic phases. This is obtained from a saddle-point approximation of a spin-rotation-invariant form of the slave boson representation introduced by Kotliar and Ruckenstein. They obtain very good agreement in energy with exact diagonalization calculations and, concerning the magnetic structure, qualitative agreement with experimental data.
We present a slave-boson representation for the Hubbard model, introducing Bose fields for the empty, singly, and doubly occupied sites and show that the boson for the singly occupied site must transform as a tensor of rank two under spin rotations. This generalizes the formulation of Kotliar and Ruckenstein, which is not manifestly spin-rotation invariant. The paramagnetic saddle point of the corresponding functional integral is identical to Gutzwiller's solution. As an illustration of the method, we calculate the T3{T}^{3}T3lnT spin-fluctuation contribution to the specific heat and find it to be fully consistent with Fermi-liquid theory. We discuss further applications of this approach.
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.
The cluster slave-spin method is employed to investigate systematically the ground state properties of the Hubbard model on a square lattice with doping $\ensuremath{\delta}$ and coupling strength UUU being its parameters. At half-filling, a relation between the staggered magnetization MMM and the antiferromagnetic (AFM) gap ${\mathrm{\ensuremath{\Delta}}}_{\text{AFM}}$ is established in the small UUU limit to compare with that from the Hartree-Fock theory, and a first-order metal-insulator Mott transition in the paramagnetic state is substantiated, which is characterized by discontinuities and hystereses at UMott=10t{U}_{\text{Mott}}=10tUMott​=10t. The interaction Uc{U}_{c}Uc​ for the crossover in the AFM state, separating the weak- and strong-coupling regimes, is found to remain almost unchanged with large dopings, and smaller than UMott{U}_{\text{Mott}}UMott​ at half-filling because of long range AFM correlations. Finally, an overall phase diagram in the $U\ensuremath{-}\ensuremath{\delta}$ plane is presented, which is composed of four regimes: the AFM insulator at half-filling, the AFM metal with the compressibility $\ensuremath{\kappa}>0$ or $\ensuremath{\kappa}<0$, and the paramagnetic metal, as well as three phase transitions: (i) From the AFM metal to the paramagnetic metal, (ii) between the AFM metal phases with positive and negative $\ensuremath{\kappa}$, and (iii) separating the AFM insulating phase at $\ensuremath{\delta}=0$ from the AFM metal phase for $\ensuremath{\delta}>0$.
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.