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Physical review. B, Condensed matter

Anomalous properties of the Hubbard model in infinite dimensions

Mark Jarrell, Thomas Pruschke

Published Jan 1, 1994• 54 citations
Publisher

Abstract

Anomalies are found in the resistivity \ensuremath{\rho} and NMR rate 1/${\mathit{T}}_{1}$ of the infinite-dimensional Hubbard model using quantum Monte Carlo calculations and the noncrossing approximation. For temperatures greater than the ``Kondo scale'' ${\mathit{T}}_{0}$, we obtain 1/${\mathit{T}}_{1}$\ensuremath{\sim}a+bT and \ensuremath{\rho}\ensuremath{\sim}c+dT (a, b, c, d constants). For temperatures T\ensuremath{\ll}${\mathit{T}}_{0}$ we infer from a saturation of the effective mass of the carriers that the ground state of the system is a Fermi liquid.

DOI
10.1103/physrevb.49.1458

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Results for the optical conductivity and resistivity of the Hubbard model in infinite spatial dimensions are presented. At half-filling we observe a gradual crossover from a metal with a Drude peak at ω = 0 in the optical conductivity to an insulator as a function of U for temperatures above the antiferromagnetic phase transition. When doped, the "insulator" becomes a Fermi liquid with a corresponding temperature dependence of the optical conductivity and resistivity. We find a T 2 -coefficient in the low-temperature resistivity which suggests that the carriers in the system acquire a considerable mass-enhancement due to the strong local correlations. At high temperatures, a crossover into a semi-metallic regime takes place.
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The nature of the Mott-Hubbard metal-insulator transition in the infinite-dimensional Hubbard model is investigated by quantum Monte Carlo simulations down to temperature T=W/140T\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}W/140T=W/140 ( W=bandwidthW\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\mathrm{bandwidth}W=bandwidth). Calculating with significantly higher precision than in previous work, we show that the hysteresis below ${T}_{\mathrm{IPT}}\ensuremath{\simeq}0.022W$, reported in earlier studies, disappears. Hence the transition is found to be continuous rather than discontinuous down to at least T=0.325TIPT{T\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.325T}_{\mathrm{IPT}}T=0.325TIPT​. We also study the changes in the density of states across the transition, which illustrate that the Fermi liquid breaks down before the gap opens.
We present results on the thermodynamic quantities, resistivity, and optical conductivity for the Hubbard model on a simple hypercubic lattice in infinite dimensions. Our results for the paramagnetic phase display the features expected from an intuitive analysis of the one-particle spectra and substantiate the similarity of the physics of the Hubbard model to those of heavy-fermion systems. The calculations were performed using an approximate solution to the single-impurity Anderson model, which is the key quantity entering the solution of the Hubbard model in this limit. To establish the quality of this approximation we compare its results, together with those obtained from two other widely used methods, to essentially exact quantum Monte Carlo results.
The one-dimensional Hubbard model is studied at and close to half-filling using a generalization of Handscomb's quantum Monte Carlo method. Results for spin-correlation functions and susceptibilities are presented for systems of up to 128 sites. The spin-correlation function at low temperature is well described by a recently introduced formula relating the correlation function of a finite periodic system to the corresponding T=0 correlation function of the infinite system. For the T\ensuremath{\rightarrow}0 divergence of the q=2kF{\mathit{k}}_{\mathit{F}}kF​ spin susceptibility, our results are consistent with the form \ensuremath{\chi}(2kF{\mathit{k}}_{\mathit{F}}kF​)\ensuremath{\sim}\ensuremath{\Vert}ln(T)${\mathrm{\ensuremath{\Vert}}}^{\mathrm{\ensuremath{\sigma}}}$${\mathit{T}}_{\mathrm{\ensuremath{\rho}}}^{\mathit{K}}$-1, with \ensuremath{\sigma}=1/2.
A systematic study of optical and transport properties of the Hubbard model, based on the Metzner-Vollhardt dynamical mean-field approximation, is reviewed. This model shows interesting anomalous properties that are, in our opinion, ubiquitous to single-band strongly correlated systems (for all spatial dimensions greater than one) and also compare qualitatively with many anomalous transport features of the high-T c cuprates. This anomalous behaviour of the normal-state properties is traced to a ‘collective single-band Kondo effect’, in which a quasiparticle resonance forms at the Fermi level as the temperature is lowered, ultimately yielding a strongly renormalized Fermi liquid at zero temperature.