We have studied the impact of non-local electronic correlations at all length scales on the MottHubbard 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 -irrespectively of the preformation of localized or short-ranged 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. Introduction.The Mott-Hubbard metal-insulator transition (MIT) [1] is one of the most fundamental hallmarks of the physics of electronic correlations. Nonetheless, astonishingly little is known exactly, even for its simplest modeling, i.e., the single-band Hubbard Hamiltonian [2]: Exact solutions for this model are available only in the extreme, limiting cases of one and infinite dimensions.In one dimension (1D), the Bethe ansatz shows that there is actually no Mott-Hubbard transition [3][4][5]; or, in other words, it occurs for a vanishingly small Hubbard interaction U : At any U > 0 the 1D-Hubbard model is insulating at half filling. One dimension is, however, rather peculiar: While there is no antiferromagnetic ordering even at temperature T = 0, antiferromagnetic spin fluctuations are strong and long-ranged, decaying slowly, i.e., algebraically. Also the (doped) metallic phase is not a standard Fermi liquid but a Luttinger liquid.For the opposite extreme, infinite dimensions, the dynamical mean field theory (DMFT) [6] becomes exact [7], which allows for a clear-cut and -to a certain extentalmost "idealized" description of a pure Mott-Hubbard MIT. In fact, since in D = ∞ only local correlations survive [7], the Mott-Hubbard insulator of DMFT consists of a collection of localized (but not long-range ordered) magnetic moments. This way, if antiferromagnetic order is neglected or sufficiently suppressed, DMFT describes a first-order MIT [6,8], ending with a critical endpoint.As an approximation, DMFT is applicable to the more realistic cases of the three-and two-dimensional Hubbard models. However, the DMFT description of the MIT is the very same here, since only the non-interacting density of states (DOS) and in particular its second moment enter. This is a natural shortcoming of the mean-field nature of DMFT: antiferromagnetic fluctuations have no effect at all on the DMFT spectral function or self-energy above the antiferromagnetic ordering temperature T N .In 3D, antiferromagnetic fluctuations reduce T N siz-
We compute unbiased spectral functions of the two-dimensional Hubbard model by extrapolating Green functions, obtained from determinantal quantum Monte Carlo simulations, to the thermodynamic and continuous time limits. Our results clearly resolve the pseudogap at weak to intermediate coupling, originating from a momentum selective opening of the charge gap. A characteristic pseudogap temperature T * , determined consistently from the spectra and from the momentum dependence of the imaginary-time Green functions, is found to match the dynamical mean-field critical temperature, below which antiferromagnetic fluctuations become dominant. Our results identify a regime where pseudogap physics is within reach of experiments with cold fermions on optical lattices.
We determine antiferromagnetic (AF) signatures in the half-filled Hubbard model at strong coupling on a cubic lattice and in lower dimensions. Upon cooling, the transition from the chargeexcitation regime to the AF Heisenberg regime is signaled by a universal minimum of the double occupancy at entropy s ≡ S/(N kB) = s * ≈ ln(2) per particle and a linear increase of the next-nearest neighbor (NNN) spin correlation function for s < s * . This crossover, driven by a gain in kinetic exchange energy, appears as the essential AF physics relevant for current cold-atom experiments. The onset of long-range AF order (at low s on cubic lattices) is hardly visible in nearest-neighbor spin correlations versus s, but could be detected in spin correlations at or beyond NNN distances.
We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary Hamiltonian, for which the Green function is computed by combining determinantal quantum Monte Carlo (BSS-QMC) calculations with a multigrid extrapolation procedure. The method is numerically exact, i.e., yields results which are free of significant Trotter errors, but retains the BSS advantage, compared to direct QMC impurity solvers, of linear (instead of cubic) scaling with the inverse temperature. The new algorithm is applied to the half-filled Hubbard model close to the Mott transition; detailed comparisons with exact diagonalization, Hirsch-Fye QMC, and continuous-time QMC are provided.
We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum-dependent, but it can be parametrized via the non-interacting energymomentum dispersion ε k , except for pseudogap features right at the Fermi edge. That is, it can be written as Σ(ε k , ω), with two energy-like parameters (ε, ω) instead of three (k x , k y and ω). The self-energy has two rather broad and weakly dispersing high energy features and a sharp ω = ε k feature at high temperatures, which turns to ω = −ε k at low temperatures. Altogether this yields a Z-and Z-like structure, respectively, for the imaginary part of Σ(ε k , ω). We attribute the change of the low-energy structure to antiferromagnetic spin fluctuations.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.