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arXiv:cond-mat/9510084 · Physical Review Letters

Insulator-Metal Transition in the One- and Two-Dimensional Hubbard Models

Fakher F. Assaad, Masatoshi Imada

Published Apr 22, 1996• 48 citations
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Abstract

We use quantum Monte Carlo methods to determine $T\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0$ Green functions, $G(\stackrel{\ensuremath{\rightarrow}}{r},\ensuremath{\omega})$, on lattices up to $16\ifmmode\times\else\texttimes\fi{}16$ for the 2D Hubbard model at $U/t\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}4$. For chemical potentials $\ensuremath{\mu}$ within the Hubbard gap $|\ensuremath{\mu}|<{\ensuremath{\mu}}_{c}$ and at long distances $\stackrel{\ensuremath{\rightarrow}}{r}$, $G(\stackrel{\ensuremath{\rightarrow}}{r},\ensuremath{\omega}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\ensuremath{\mu})\ensuremath{\sim}{e}^{\ensuremath{-}|\stackrel{\ensuremath{\rightarrow}}{r}|/{\ensuremath{\xi}}_{l}}$ with critical behavior ${\ensuremath{\xi}}_{l}\ensuremath{\sim}|\ensuremath{\mu}\ensuremath{-}{\ensuremath{\mu}}_{c}{|}^{\ensuremath{-}\ensuremath{\nu}}$, $\ensuremath{\nu}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.26\ifmmode\pm\else\textpm\fi{}0.05$. This result stands in agreement with the assumption of hyperscaling with correlation exponent $\ensuremath{\nu}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1/4$ and dynamical exponent $z\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}4$. In contrast, the generic band insulator as well as the metal-insulator transition in the 1D Hubbard model are characterized by $\ensuremath{\nu}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1/2$ and $z\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2$.

DOI
10.1103/physrevlett.76.3176

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We use quantum Monte Carlo methods to determine T=0T\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0T=0 Green functions, G(r\ensuremath→,\ensuremathω)G(\stackrel{\ensuremath{\rightarrow}}{r},\ensuremath{\omega})G(r\ensuremath→,\ensuremathω), on lattices up to 16\ifmmode×\else\texttimes\fi1616\ifmmode\times\else\texttimes\fi{}1616\ifmmode×\else\texttimes\fi16 for the 2D Hubbard model at U/t=4U/t\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}4U/t=4. For chemical potentials \ensuremathμ\ensuremath{\mu}\ensuremathμ within the Hubbard gap ∣\ensuremathμ∣<\ensuremathμc|\ensuremath{\mu}|<{\ensuremath{\mu}}_{c}∣\ensuremathμ∣<\ensuremathμc​ and at long distances r\ensuremath→\stackrel{\ensuremath{\rightarrow}}{r}r\ensuremath→, G(r\ensuremath→,\ensuremathω=\ensuremathμ)\ensuremath∼e\ensuremath−∣r\ensuremath→∣/\ensuremathξlG(\stackrel{\ensuremath{\rightarrow}}{r},\ensuremath{\omega}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\ensuremath{\mu})\ensuremath{\sim}{e}^{\ensuremath{-}|\stackrel{\ensuremath{\rightarrow}}{r}|/{\ensuremath{\xi}}_{l}}G(r\ensuremath→,\ensuremathω=\ensuremathμ)\ensuremath∼e\ensuremath−∣r\ensuremath→∣/\ensuremathξl​ with critical behavior \ensuremathξl\ensuremath∼∣\ensuremathμ\ensuremath−\ensuremathμc∣\ensuremath−\ensuremathν{\ensuremath{\xi}}_{l}\ensuremath{\sim}|\ensuremath{\mu}\ensuremath{-}{\ensuremath{\mu}}_{c}{|}^{\ensuremath{-}\ensuremath{\nu}}\ensuremathξl​\ensuremath∼∣\ensuremathμ\ensuremath−\ensuremathμc​∣\ensuremath−\ensuremathν, \ensuremathν=0.26\ifmmode±\else\textpm\fi0.05\ensuremath{\nu}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.26\ifmmode\pm\else\textpm\fi{}0.05\ensuremathν=0.26\ifmmode±\else\textpm\fi0.05. This result stands in agreement with the assumption of hyperscaling with correlation exponent \ensuremathν=1/4\ensuremath{\nu}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1/4\ensuremathν=1/4 and dynamical exponent z=4z\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}4z=4. In contrast, the generic band insulator as well as the metal-insulator transition in the 1D Hubbard model are characterized by \ensuremathν=1/2\ensuremath{\nu}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1/2\ensuremathν=1/2 and z=2z\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2z=2.
We study the filling-controlled metal-insulator transition in the two-dimensional Hubbard model near half-filling with the use of zero temperature quantum Monte Carlo methods. In the metallic phase, the compressibility behaves as κ∝∣μ−μc∣−0.58±0.08κ\propto |μ- μ_c|^{-0.58\pm0.08}κ∝∣μ−μc​∣−0.58±0.08 where μcμ_cμc​ is the critical chemical potential. In the insulating phase, the localization length follows ξl∝∣μ−μc∣−νlξ_l \propto |μ- μ_c|^{-ν_l}ξl​∝∣μ−μc​∣−νl​ with νl=0.26±0.05ν_l = 0.26 \pm 0.05νl​=0.26±0.05. Under the assumption of hyperscaling, the compressibility data leads to a correlation length exponent νκ=0.21±0.04ν_κ= 0.21 \pm 0.04νκ​=0.21±0.04. Our results show that the exponents νκν_κνκ​ and νlν_lνl​ agree within statistical uncertainty. This confirms the assumption of hyperscaling with correlation length exponent ν=1/4ν= 1/4ν=1/4 and dynamical exponent z=4z = 4z=4. In contrast the metal-insulator transition in the generic band insulators in all dimensions as well as in the one-dimensional Hubbard model satisfy the hyperscaling assumption with exponents ν=1/2ν= 1/2ν=1/2 and z=2z = 2z=2.
Using equations of motion of connected Green functions the Hubbard III approximation is reexamined. It is shown that two important higher-order correlation effects are neglected in the Hubbard III treatment. One is bandwidth correction, the other is band-shift correction. These two corrections make important effects to the metal-insulator transition and spontaneous ferromagnetism in the Hubbard model. Due to the bandwidth correction the critical value of Uc{U}_{c}Uc​ in the metal-insulator transition decreases from 3/2W(W\sqrt{3}/2W(W3​/2W(W represents Bloch bandwidth) in the Hubbard III approximation to 0.67W,0.67W,0.67W, which approaches significantly the critical value of 0.5W0.5W0.5W by the quantum Monte Carlo simulation, while the band-shift correction leads to a ferromagnetic solution missed in the Hubbard III approximation in the limit of $\stackrel{\ensuremath{\rightarrow}}{U}\ensuremath{\infty},$ which is in qualitative agreement with the conclusion that the Hubbard model can describe the ferromagnetism resulted from the spectral density method and the quantum Monte Carlo simulation. Our studies show that the higher-order correlation effects play an important role in describing the properties of the strongly correlated systems.
We investigate a semimetal-superconductor phase transition of two-dimensional Dirac electrons at zero temperature by large-scale and essentially unbiased quantum Monte Carlo simulations for the half-filled attractive Hubbard model on the triangular lattice, in the presence of alternating magnetic $\ensuremath{\pi}$ flux, that is introduced to construct two Dirac points in the one-particle bands at the Fermi level. This phase transition is expected to describe quantum criticality of the chiral XY class in the framework of the Gross-Neveu model, where, in the ordered phase, the U(1)U(1)U(1) symmetry is spontaneously broken and a mass gap opens in the excitation spectrum. We compute the order parameter of the sss-wave superconductivity and estimate the quasiparticle weight from the long-distance behavior of the single-particle Green's function. These calculations allow us to obtain the critical exponents of this transition in a reliable and accurate way. Our estimate for the critical exponents is in good agreement with those obtained for a transition to a Kekul\'e valence bond solid, where an emergent U(1)U(1)U(1) symmetry is proposed [Z.-X. Li et al., Nat. Commun. 8, 314 (2017)].