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arXiv:cond-mat/0112273 · Physical Review Letters

Comment on “Absence of a Slater Transition in the Two-Dimensional Hubbard Model”

Bumsoo Kyung, Jean‐Sébastien Landry, David Poulin, A.–M. S. Tremblay

Published Mar 6, 2003• 39 citations
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Abstract

In a recent paper, Phys. Rev. Lett. 87, 167010/1-4 (2001), Moukouri and Jarrell presented evidence that in the two-dimensional (d=2) Hubbard model at half-filling there is a metal-insulator transition (MIT) at finite temperature even in weak coupling. While we agree with the numerical results of that paper, we arrive at different conclusions: The apparent gap at finite-temperature can be understood, at weak-coupling, as a crossover phenomenon involving large (but not infinite) antiferromagnetic (AFM) correlation length. Phase-space effects on the self-energy in d=2 are crucial, as are the ratio between AFM correlation length and single-particle thermal de Broglie wavelength. In weak coupling, d=2, there is in general no finite-temperature MIT transition in the thermodynamic sense.

DOI
10.1103/physrevlett.90.099702

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In a recent paper, Phys. Rev. Lett. 87, 167010/1-4 (2001), Moukouri and Jarrell presented evidence that in the two-dimensional (d=2) Hubbard model at half-filling there is a metal-insulator transition (MIT) at finite temperature even in weak coupling. While we agree with the numerical results of that paper, we arrive at different conclusions: The apparent gap at finite-temperature can be understood, at weak-coupling, as a crossover phenomenon involving large (but not infinite) antiferromagnetic (AFM) correlation length. Phase-space effects on the self-energy in d=2 are crucial, as are the ratio between AFM correlation length and single-particle thermal de Broglie wavelength. In weak coupling, d=2, there is in general no finite-temperature MIT transition in the thermodynamic sense.
We present well-controlled results on the metal-to-insulator transition (MIT) within the paramagnetic solution of the dynamical cluster approximation in the two-dimensional Hubbard model at half filling. In the strong coupling regime, a local picture describes the properties of the model; there is a large charge gap Delta approximately U. In the weak-coupling regime, we find that a symbiosis of short-range antiferromagnetic correlations and moment formation cause a gap to open at finite temperature as in one dimension. Hence, this excludes the mechanism of the MIT proposed by Slater long ago.
We study antiferromagnetism and single-particle properties in the two-dimensional half-filled Hubbard model at low temperature. Collective spin fluctuations are governed by a non-linear sigma model that we derive from the Hubbard model for any value of the Coulomb repulsion. As the Coulomb repulsion increases, the ground state progressively evolves from a Slater to a Mott-Heisenberg antiferromagnet. At finite temperature, we find a metal-insulator transition between a pseudogap phase at weak coupling and a Mott-Hubbard insulator at strong coupling.
The Quantum Monte Carlo simulations of the ionic Hubbard model on a two-dimensional square lattice at half filling were performed. The method based on the direct-space, proposed by Suzuki and al., Hirsch and al., was used. Cycles of increasing and decreasing values of the Coulomb interaction $ U $ were performed for fixed temperature ($ kT=0.01 $). Results indicate that, at low temperature, the two insulator phases are separated by a metallic phase for weak to intermediate values of the staggered potential $ Δ$. For large Coulomb repulsion the system is in a Mott insulator with an antiferromagnetism order. On increasing and decreasing the Coulomb interaction $ U $ the metal-Mott insulator transition shows an hysteresis phenomenon while the metal-band insulator transition is continue. For large $ Δ$ it seems that the metallic region shrinks to a single metallic point. However, the band insulator to the Mott insulator transition is not direct for the studied model. A phase diagram is drawn for the temperature $ kT=0.01 $. For $ Δ=0.5 $ cycles of increasing and decreasing temperature were programmed for different values of the Coulomb interaction $ U $ . A behaviour change appears for $ U\simeq 1.75 $. This suggests that a crossover line divides the metallic region of the phase diagram.
Thermodynamic and dynamical properties of filling-control metal-insulator transition (MIT) in the Hubbard model are studied by the operator projection method, especially in two dimensions. This is a non-perturbative analytic approach to many-body systems. The present theory incorporates the Mott-Hubbard, Brinkman-Rice and Slater pictures of the MIT into a unified framework, together with reproducing low-energy narrow band arising from spin-charge fluctuations. At half filling, single-particle spectra A(ω,k)A(ω, k)A(ω,k) show formation of two Hubbard bands and their antiferromagnetic shadows separated by a Mott gap in the plane of energy ωωω and momentum kkk with lowering temperatures. These four bands produce splitting to two low-energy narrow bands and two SDW-like bands in the dispersion. Near half filling, the low-energy narrow band persists at low temperatures. This narrow band has a particularly weak dispersion and large weights around (π,0)(π, 0)(π,0) and (0,π)(0, π)(0,π) momenta. The velocity of these low-energy excitations is shown to vanish towards the MIT, indicating the mass divergence as in the Brinkman-Rice picture, but most prominently around (π,0)(π,0)(π,0) and (0,π)(0,π)(0,π) with strong momentum dependence. This reflects the suppression of the coherence near the MIT. Main structures in A(ω,k)A(ω, k)A(ω,k) show remarkable similarities to quantum Monte-Carlo results in two dimensions as well as in the one-dimensional Hubbard model. The charge compressibility appears to diverge with decreasing doping concentration in both one and two dimensions in agreement with the exact and quantum Monte-Carlo results. We also discuss implications of the flat dispersion formed near the Fermi level to the observations in high-$\Tc$ cuprate superconductors.
The observed magnetic spin susceptibility of high-temperature superconductors such as ${\mathrm{La}}_{2\mathrm{\ensuremath{-}}\mathit{x}}$Srx{\mathrm{Sr}}_{\mathit{x}}Srx​CuO4{\mathrm{CuO}}_{4}CuO4​ increases when x increases from zero, i.e., as one dopes away from half-filling. Recent Monte Carlo simulations of A. Moreo [Phys. Rev. B 48, 3380 (1993)] suggest that this behavior can be reproduced by the two-dimensional Hubbard model only at large coupling, namely, U/t of order 10. Using longer runs, our Monte Carlo simulations show that the same behavior as for U/t=10 is obtained even in the intermediate coupling regime (U/t=4), as long as the temperature is low enough (T=t/6) that strong antiferromagnetic correlations are building up at half-filling. These results are consistent with the fact that in two dimensions, the generalized random phase approximation should fail in the parameter range where it predicts a magnetic phase transition.
We have studied the impact of nonlocal electronic correlations at all length scales on the Mott-Hubbard metal-insulator transition in the unfrustrated two-dimensional Hubbard model. Combining dynamical vertex approximation, lattice quantum Monte Carlo, and variational cluster approximation, we demonstrate that scattering at long-range fluctuations, i.e., Slater-like paramagnons, opens a spectral gap at weak-to-intermediate coupling, irrespective of the preformation of localized or short-range magnetic moments. This is the reason why the two-dimensional Hubbard model has a paramagnetic phase which is insulating at low enough temperatures for any (finite) interaction and no Mott-Hubbard transition is observed.