Ultralong-range order in the Fermi-Hubbard model with long-range interactions

We use the dual boson approach to reveal the phase diagram of the Fermi-Hubbard model with long-range dipole-dipole interactions. By using a large-scale finite-temperature calculation on a $64 \times 64$ square lattice we demonstrate the existence of a novel phase, possessing an `ultralong-range' order. The fingerprint of this phase -- the density correlation function -- features a non-trivial behavior on a scale of tens of the lattice sites. We study the properties and the stability of the ultralong-range ordered phase, and show that it is accessible in modern experiments with ultracold polar molecules and magnetic atoms

Thermodynamic consistency of the charge response in dynamical mean-field based approaches

We consider the thermodynamic consistency of the charge response function in the (extended) Hubbard model. In DMFT, thermodynamic consistency is preserved. We prove that the static, homogeneous DMFT susceptibility is consistent as long as vertex corrections obtained from the two-particle impurity correlation function are included. In presence of a nonlocal interaction, the problem may be treated within extended DMFT (EDMFT), or its diagrammatic extension, the dual boson approach. We show that here, maintaining thermodynamic consistency requires knowledge of three- and four-particle impurity correlation functions, which are typically neglected. Nevertheless, the dual boson approximation to the response is remarkably close to consistency. This holds even when two-particle vertex corrections are neglected. EDMFT is consistent only in the strongly correlated regime and near half-filling, where the physics is predominantly local.Comment: 11 pages (incl. appendix), 4 figure

Second-order phase transitions and divergent linear response in dynamical mean-field theory

Second-order phase transitions appear as a divergence in one of the linear response functions. For a system of correlated electrons, the relevant divergent response can and does involve many-particle observables, most famously the double occupancy. Generally, evaluating the linear response function of many-particle observables requires a many-particle generalization of the Bethe-Salpeter equation. However, here I show that the divergence of linear response functions in dynamical mean-field theory is governed by a two-particle Bethe-Salpeter equation, even for many-particle observables. The reason for this is that the divergence at the second-order phase transition is produced by the self-consistent feedback of the dynamical mean-field

Two-particle correlations and the metal-insulator transition: Iterated Perturbation Theory revisited

Recent advances in many-body physics have made it possible to study correlated electron systems at the two-particle level. In Dynamical Mean-Field theory, it has been shown that the metal-insulator phase diagram is closely related to the eigenstructure of the susceptibility. So far, this situation has been studied using accurate but numerically expensive solvers. Here, the Iterated Perturbation Theory (IPT) approximation is used instead. Its simplicity makes it possible to obtain analytical results for the two-particle vertex and the DMFT Jacobian. The limited computational cost also enables a detailed comparison of analytical expressions for the response functions to results obtained using finite differences. At the same time, the approximate nature of IPT precludes an interpretation of the metal-insulator transition in terms of a Landau free energy functional.Comment: Revised versio

Beyond extended dynamical mean-field theory: Dual boson approach to the two-dimensional extended Hubbard model

The dual boson approach [Ann. Phys. 327, 1320 (2012)] provides a means to construct a diagrammatic expansion around the extended dynamical mean-field theory (EDMFT). In this paper, we present the numerical implementation of the approach and apply it to the extended Hubbard model with nearest-neighbor interaction $V$. We calculate the EDMFT phase diagram and study the effect of diagrams beyond EDMFT on the transition to the charge-ordered phase. Including diagrammatic corrections to the EDMFT polarization shifts the EDMFT phase boundary to lower values of $V$. The approach interpolates between the random phase approximation in the weak coupling limit and EDMFT for strong coupling. Neglecting vertex corrections leads to results reminiscent of the EDMFT+$GW$ approximation. We however find significant deviations from the dual boson results already for small values of the interaction, emphasizing the crucial importance of fermion-boson vertex corrections.Comment: Published version; 24 pages, 32 figure

A comparison between methods of analytical continuation for bosonic functions

In this article we perform a critical assessment of different known methods for the analytical continuation of bosonic functions, namely the maximum entropy method, the non-negative least-square method, the non-negative Tikhonov method, the Pad\'e approximant method, and a stochastic sampling method. Three functions of different shape are investigated, corresponding to three physically relevant scenarios. They include a simple two-pole model function and two flavours of the non-interacting Hubbard model on a square lattice, i.e. a single-orbital metallic system and a two-orbitals insulating system. The effect of numerical noise in the input data on the analytical continuation is discussed in detail. Overall, the stochastic method by Mishchenko et al. [Phys. Rev. B \textbf{62}, 6317 (2000)] is shown to be the most reliable tool for input data whose numerical precision is not known. For high precision input data, this approach is slightly outperformed by the Pad\'e approximant method, which combines a good resolution power with a good numerical stability. Although none of the methods retrieves all features in the spectra in the presence of noise, our analysis provides a useful guideline for obtaining reliable information of the spectral function in cases of practical interest.Comment: 13 pages, 9 figure

Bandwidth renormalization due to the intersite Coulomb interaction

The theory of correlated electrons is currently moving beyond the paradigmatic Hubbard $U$, towards the investigation of intersite Coulomb interactions. Recent investigations have revealed that these interactions are relevant for the quantitative description of realistic materials. Physically, intersite interactions are responsible for two rather different effects: screening and bandwidth renormalization. We use a variational principle to disentangle the roles of these two processes and study how appropriate the recently proposed Fock treatment of intersite interactions is in correlated systems. The magnitude of this effect in graphene is calculated based on cRPA values of the intersite interaction. We also observe that the most interesting charge fluctuation phenomena actually occur at elevated temperatures, substantially higher than studied in previous investigations.Comment: New appendix on benzen