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Physical Review Letters

Hall Coefficient for the Two-Dimensional Hubbard Model

Fakher F. Assaad, Masatoshi Imada

Published May 8, 1995• 41 citations
Publisher

Abstract

We calculate with quantum Monte Carlo methods the Hall coefficient ${R}_{H}$ for the 2D Hubbard model at small hole doping near half filling. In the weak coupling regime ${R}_{H}$ is electronlike. In the strong coupling regime, where the mapping to the $t$- $J$ model is justified, ${R}_{H}$ is electronlike with small amplitude in the temperature regime $T>U$, $T<J$ and holelike in the temperature regime $J<T<U$. Our results are consistent with the picture of a Mott transition driven by the divergence of the effective mass as opposed to the vanishing of the number of charge carriers.

DOI
10.1103/physrevlett.74.3868

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We calculate with quantum Monte Carlo methods the Hall coefficient RH{R}_{H}RH​ for the 2D Hubbard model at small hole doping near half filling. In the weak coupling regime RH{R}_{H}RH​ is electronlike. In the strong coupling regime, where the mapping to the ttt- JJJ model is justified, RH{R}_{H}RH​ is electronlike with small amplitude in the temperature regime T>UT>UT>U, T<JT<JT<J and holelike in the temperature regime J<T<UJ<T<UJ<T<U. Our results are consistent with the picture of a Mott transition driven by the divergence of the effective mass as opposed to the vanishing of the number of charge carriers.
The Hubbard model on a square lattice in the ground state is investigated. Various aspects of Mott transition at half-filling are clarified from the quantum Monte Carlo study. Critical exponents of the transition for charge and spin correlations are estimated. For the doping concentration δ, the charge susceptibility is proportional to δ -1 indicating the divergence of charge mass for δ→0, while the spin susceptibility is always finite and not singular near δ=0. Several theoretical consequences of the above results are discussed. Incommensurate peak amplitude of spin correlation scales as (δ-δ c ) -1 with δ c <0.01 in disagreement with RPA results ln (δ-δ c ). The antiferromagnetic order at the half-filling also shows strong correlation character and is not sensitive to the shape of the fermi surface, while the incommensurate peak observed away from the half-filling is sensitively suppressed by the loss of partial nesting consistently with the weak coupling picture. Comparisons with experimental indications of high- T c oxides are made.
The Hall coefficient exhibits anomalous behavior in lightly doped Mott insulators. For strongly interacting electrons its computation has been challenged by analytical and numerical obstacles. We calculate the leading contributions in the recently derived thermodynamic formula for the Hall coefficient. We obtain its doping and temperature dependence for the square lattice tJ-model at high temperatures. The second order corrections are evaluated to be negligible. Quantum Monte Carlo sampling extends our results to lower temperatures. We find a divergence of the Hall coefficient toward the Mott limit and a sign reversal relative to Boltzmann equation's weak scattering prediction. The Hall current near the Mott phase is carried by a low density of spin-entangled vacancies, which should constitute the Cooper pairs in any superconducting phase at lower temperatures.
We compute the (zero frequency) Hall coefficient RHR_HRH​, and the high frequency Hall constant RH∗R_H^*RH∗​ for the strong coupling Hubbard model away from half-filling, in the d=∞d=\inftyd=∞/ local approximation, using the new iterated perturbation scheme proposed by Kajueter and Kotliar. We find quantitative agreement of our RH∗R_H^*RH∗​ with the QMC results obtained in two dimensions by Assaad and Imada [Phys. Rev. Lett. {\bf 74}, 3868 (1995)]. However while the {\it sign} of RHR_HRH​ is quite accurately reproduced by RH∗R_H^*RH∗​ the doping dependence of its magnitude at large U is not. We report results for the complete temperature (T)(T)(T), doping (x)(x)(x) and UUU dependence of RHR_HRH​ and RH∗R_H^*RH∗​ and discuss their possible relevance to doped cuprates.
We study the temperature and doping dependence of the two-dimensional (2D) Hubbard model in the intermediate coupling regime (U=4).(U=4).(U=4). As temperature is decreased for a half-filled band, 2D critical spin fluctuations give rise to a strong local maximum in $|\mathrm{Im}\ensuremath{\Sigma}({k}_{F},\ensuremath{\omega})|$ at $\ensuremath{\omega}=0,$ leading to a split peak in the spectral function. These strong fluctuations dominating near half filling are completely destroyed by 12% doping concentration. Below this concentration the imaginary part of the self-energy vanishes nearly quadratically in frequency at the Fermi energy, a Fermi-liquid-like feature. With varying the temperature at this concentration, we present numerical evidence for the band Kondo effect in the doped 2D Hubbard model by showing at low temperatures a growing peak in the density of states, nearly quadratically vanishing (in frequency) scattering rates at the Fermi energy and a linearly vanishing (in temperature) effective magnetic moment.
Abstract The Hall coefficient of the strongly interacting square lattice Hubbard model is calculated for temperatures between the antiferromagnetic interaction and the Mott gap scales. The leading order thermodynamic formula is evaluated for all doping concentrations. Second-order corrections of the thermodynamic formula are calculated and found to be negligible. The Hall coefficient diverges toward the Mott insulator. Below 45% doping the Hall sign is reversed relative to band structure-based Boltzmann’s equation. These results elucidate the effects of the Mott insulator on the charge carriers and their non-Fermi liquid transport.