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arXiv:cond-mat/0011247 · Physical Review Letters

Absence of a Slater Transition in the Two-Dimensional Hubbard Model

S. Moukouri, Mark Jarrell

Published Oct 1, 2001• 116 citations
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Abstract

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.

DOI
10.1103/physrevlett.87.167010

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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 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.
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.
The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions [Formula: see text], temperatures [Formula: see text] and electron concentrations [Formula: see text] with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at [Formula: see text]. At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from [Formula: see text] at the highest temperatures to U = 2t at [Formula: see text] for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for [Formula: see text] to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for [Formula: see text]. For [Formula: see text] and [Formula: see text] doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.
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 cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 × 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.
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.