We show that the numerically exact bold-line diagrammatic theory for the $2d$ Hubbard model exhibits a non-Fermi-liquid (NFL) strange metal state, which is connected to the SYK NFL in the strong-interaction limit. The solution for the doped system features the expected phenomenology with the NFL near half-filling at strong couplings and in a wide temperature range enclosed by the atomic state at high temperatures and a Fermi liquid at low temperatures. We demonstrate, however, that this behavior in the weakly doped regime is due to the unphysical branch of the Luttinger-Ward functional. On the other hand, our analysis shows that the NFL physics is realized at larger doping.
We extend the weak-coupling diagrammatic determinantal algorithm to projective schemes as well as to the inclusion of phonon degrees of freedom. The projective approach provides a very efficient algorithm to access zero temperature properties. To implement phonons, we integrate them out in favor of a retarded density-density interaction and simulate the resulting purely electronic action with the weak-coupling diagrammatic determinantal algorithm. Both extensions are tested within the dynamical mean field approximation for the Hubbard and Hubbard-Holstein models.
The known analytical properties of the Green's function and self-energy rule out an ambiguity of the self-energy. The noninteracting Green's functions obtained by Kozik et al. in arXiv:1407.5687 likely have pathological properties.
Using a dual representation of lattice fermion models that is based on spin-charge transformation and fermionisation of the original description, I derive an algorithm for diagrammatic Monte Carlo simulation of strongly correlated systems. This scheme allows eliminating large expansion parameters, as well as large corrections to the density matrix that generally prevent diagrammatic methods from being efficient in this regime. As an example, I compute the filling factor for the Hubbard model at infinite onsite repulsion and compare the results to controllable data obtained from Numerical Linke…
Diagrammatic approach proposed many years ago for strong correlated Hubbard model is developed for analyzing of the thermodynamic potential properties. The new exact relation between such renormalized quantities as thermodynamic potential, one-particle propagator and correlation function is established. This relation contains additional integration of the one-particle propagator by the auxiliary constant. The vacuum skeleton diagrams constructed from irreducible Green's functions and tunneling propagator lines are determined and special functional is introduced. The properties of such function…
In this work we introduce the Dual Boson Diagrammatic Monte Carlo technique for strongly interacting electronic systems. This method combines the strength of dynamical mean-filed theory for non-perturbative description of local correlations with the systematic account of non-local corrections in the Dual Boson theory by the diagrammatic Monte Carlo approach. It allows us to get a numerically exact solution of the dual boson theory at the two-particle local vertex level for the extended Hubbard model. We show that it can be efficiently applied to description of single particle observables in a …
We introduce a method for summing Feynman's perturbation series based on diagrammatic Monte Carlo that significantly improves its convergence properties. This allows us to investigate in a controllable manner the pseudogap regime of the Hubbard model and to study the nodal/antinodal dichotomy at low doping and intermediate coupling. Marked differences from the weak coupling scenario are manifest, such as a higher degree of incoherence at the antinodes than at the `hot spots'. Our results show that the pseudogap and reduction of quasiparticle coherence at the antinode is due to antiferromagneti…
Diagrammatic Monte Carlo -- the technique for numerically exact summation of all Feynman diagrams to high orders -- offers a unique unbiased probe of continuous phase transitions. Being formulated directly in the thermodynamic limit, the diagrammatic series is bound to diverge and is not resummable at the transition due to the non-analyticity of physical observables. This enables the detection of the transition with controlled error bars from an analysis of the series coefficients alone, avoiding the challenge of evaluating physical observables near the transition. We demonstrate this techniqu…
Diagrammatic analysis for normal state of Hubbard model proposed in our previous paper [1] is generalized and used to investigate superconducting state of this model. We use the notion of charge quantum number to describe the irreducible Green's function of the superconducting state. As in the previous paper we introduce the notion of tunneling Green's function and of its mass operator. This last quantity turns out to be equal to correlation function of the system. We proved the existence of exact relation between renormalized one-particle propagator and thermodynamic potential which includes …
We present a systematic study of various forms of renormalization that can be applied in the calculation of the self-energy of the Hubbard model within the T-matrix approximation. We compare the exact solutions of the attractive and repulsive Hubbard models, for linear chains of lengths up to eight sites, with all possible taxonomies of the T-matrix approximation. For the attractive Hubbard model, the success of a minimally self-consistent theory found earlier in the atomic limit (Phys. Rev. B 71, 155111 (2005)) is not maintained for finite clusters unless one is in the very strong correlation…
We study the two-dimensional Hubbard model in the weak-coupling regime and compare the self-energy obtained from various approximate diagrammatic schemes to the result of diagrammatic Monte Carlo simulations, which sum up all weak-coupling diagrams up to a given order. While dynamical mean-field theory provides a good approximation for the local part of the self-energy, including its frequency dependence, the partial summation of bubble and/or ladder diagrams typically yields worse results than second order perturbation theory. Even widely used self-consistent schemes such as GW or the fluctua…
Strange or bad metallic transport, defined by its incompatibility with conventional quasiparticle pictures, is a theme common to strongly correlated materials and ubiquitous in many high temperature superconductors. The Hubbard model represents a minimal starting point for modeling strongly correlated systems. Here we demonstrate strange metallic transport in the doped two-dimensional Hubbard model using determinantal quantum Monte Carlo calculations. Over a wide range of doping, we observe resistivities exceeding the Mott-Ioffe-Regel limit with linear temperature dependence. The temperatures …
We study thermodynamics of the 3D Hubbard model at half filling on approach to the Néel transition by means of large-scale unbiased Diagrammatic Determinant Monte Carlo simulations. We obtain the transition temperature in the strongly correlated regime, as well as temperature dependence of energy, entropy, double occupancy, and the nearest-neighbor spin correlation function. Our results improve the accuracy of previous unbiased studies and present accurate benchmarks in the ongoing effort to realize the antiferromagnetic state of matter with ultracold atoms in optical lattices.
Self-consistent solutions of Hedin's diagrammatic theory equations (HE) for the two-site Hubbard Model (HM) have been studied. They have been found for three-point vertices of increasing complexity ($Γ=1$ (GW approximation), $Γ_{1}$ from the first order perturbation theory, and exact vertex $Γ_{E}$). The comparison is being made when an additional quasiparticle (QP) approximation for the Green function is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. The results obtained with the exact vertex are directly related to the presently open ques…
The Luttinger-Ward functional $Φ[\mathbf{G}]$, which expresses the thermodynamic grand potential in terms of the interacting single-particle Green's function $\mathbf{G}$, is found to be ill-defined for fermionic models with the Hubbard on-site interaction. In particular, we show that the self-energy $\mathbfΣ[\mathbf{G}] \propto δΦ[\mathbf{G}]/δ\mathbf{G}$ is not a single-valued functional of $\mathbf{G}$: in addition to the physical solution for $\mathbfΣ[\mathbf{G}]$, there exists at least one qualitatively distinct unphysical branch. This result is demonstrated for several models: the Hubb…
We study the correlation-induced deformation of Fermi surfaces by means of a new diagrammatic method which allows for the analytical evaluation of Gutzwiller wave functions in finite dimensions. In agreement with renormalization-group results we find Pomeranchuk instabilities in two-dimensional Hubbard models for sufficiently large Coulomb interactions.
We show exactly that small Hubbard rings exhibit unusual kink-like structures giving anomalous oscillations in persistent current. Singular behavior of persistent current disappears in some cases. In half-filled systems mobility gradually drops to zero with interaction, while it converges to some finite value in non-half-filled cases.
We develop a diagrammatic method for the evaluation of general multi-band Gutzwiller wave functions in finite dimensions. Our approach provides a systematic improvement of the widely used Gutzwiller approximation. As a first application we investigate itinerant ferromagnetism and correlation-induced deformations of the Fermi surface for a two-band Hubbard model on a square lattice.
We describe a controllable and unbiased strong-coupling diagrammatic Monte Carlo technique that is applicable to a wide range of fermionic systems and spin models. Unlike previous strong coupling methods that generally rely on the Grassmannian Hubbard-Stratonovich transformation, our construction is based on Wick's theorem and a recursive procedure to group contractions into effective connected vertices that are non-perturbative in all local physics and can be calculated exactly. The resulting expansion is described by simple diagrammatic rules that make it suitable for systematic treatment vi…
We show that Monte Carlo sampling of the Feynman diagrammatic series (DiagMC) can be used for tackling hard fermionic quantum many-body problems in the thermodynamic limit by presenting accurate results for the repulsive Hubbard model in the correlated Fermi liquid regime. Sampling Feynman's diagrammatic series for the single-particle self-energy we can study moderate values of the on-site repulsion ($U/t \sim 4$) and temperatures down to $T/t=1/40$. We compare our results with high temperature series expansion and with single-site and cluster dynamical mean-field theory.
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 …
A new diagrammatic technique is developed to describe nonlocal effects (e.g., pseudogap formation) in the Hubbard-like models. In contrast to cluster approaches, this method utilizes an exact transition to the dual set of variables, and it therefore becomes possible to treat the irreducible vertices of an effective {\it single-impurity} problem as small parameters. This provides a very efficient interpolation between weak-coupling (band) and atomic limits. The antiferromagnetic pseudogap formation in the Hubbard model is correctly reproduced by just the lowest-order diagrams.
Convergence of the self-consistent skeleton diagrammatic technique (SDT) -- in which the full Green's function is determined through summation of Feynman diagrams in terms of itself -- to the wrong answer has been associated with the existence of non-perturbative branches of the Luttinger-Ward functional. Although it has been possible to detect misleading convergence without the knowledge of the exact result, the SDT has remained inapplicable in the regimes where this happens. We show that misleading convergence does not always preclude recovering the exact solution. In addition to the establi…
Strongly correlated electron systems host a variety of poorly understood correlations in their high temperature normal state. Unlike ordered phases defined by order parameters, these normal state phases are often defined through unconventional properties such as strange metallic transport or spectroscopic pseudogaps. Characterizing the microscopic correlations in the normal state is necessary to elucidate mechanisms that lead to these properties and their connection to ground state orders. Here we establish the presence of intertwined charge and spin stripes in the strange metal normal state o…
The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations, however, neglect higher-order interaction vertices beyond two-particle scattering in the dual effective action and further truncate the diagrammatic expansion in the two-particle scattering vertex to a leading-order or ladder-type approximation. In this work we compute the dual-fermion expansion for the two-dimensional Hubbard model including all diagram topolog…
Fermi gases and liquids display an excitation spectrum that is simply connected, ensuring closed Fermi surfaces. In strongly correlated systems like the cuprate superconductors, the existence of open sheets of Fermi surface known as Fermi arcs indicates a distinctly different topology of the spectrum with no equivalent in Fermi liquid theory. Here, we demonstrate a generic mechanism by which correlation effects in fermionic systems can change the topology of the spectrum. Using diagrammatic Monte Carlo simulations, we demonstrate the existence of disconnected and multiply connected excitation …
We apply a diagrammatic expansion method around the atomic limit (U >> t) for the U-t-t' Hubbard model at half filling and finite temperature by means of a continued fraction representation of the one-particle Green's function. From the analysis of the spectral function A(\vec{k},ω) we find an energy dispersion relation with a (cos k_x-cos k_y)^2 modulation of the energy gap in the insulating phase. This anisotropy is compared with experimental ARPES results on insulating cuprates.
While a specific kind of strange metal is increasingly found to be the "normal" states in a wide variety of unconventional superconductors, its microscopic origin is presently a hotly debated enigma. Using dynamical mean-field theory (DMFT) based on hybridization expansion of continuous-time quantum Monte-Carlo (CTQMC) solver for an extended two-band Hubbard model (2BHM), we investigate the conditions underlying the emergence of such a metal. Specifically, we tie strange metallicity to an orbital-selective Mottness in 2BHM or momentum-selective Mott phase (OSMP) in 2D Hubbard models inspired b…
We consider a number of questions regarding the Luttinger-Ward functional and the many-body perturbation series expansion of the proper self-energy $Σ(\mathbf{k};z)$ specific to uniform ground states (ensemble of states) of interacting fermion systems in terms of skeleton self-energy diagrams and the interacting Green function $G(\mathbf{k};z)$. Utilising a link between the latter series expansion and the classical moment problem (of the Hamburger type), along with the associated continued-fraction expansion, we reaffirm our earlier observation (2007) that for lattice models of fermions intera…
We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong coupling regime of the half-filled Hubbard model in two dimensions, illustrating that the method converges quickly where dynamical mean field theory is a good approximation, and show that corrections are large in the strong correlation regime at intermediate interaction. The fast convergence of dual corrections to dynamical mean field results illustrates the…
The strong-coupling perturbation theory of the Hubbard model is presented and carried out to order (t/U)^5 for the one-particle Green function in arbitrary dimension. The spectral weight A(k,omega) is expressed as a Jacobi continued fraction and compared with new Monte-Carlo data of the one-dimensional, half-filled Hubbard model. Different regimes (insulator, conductor and short-range antiferromagnet) are identified in the temperature--hopping integral (T,t) plane. This work completes a first paper on the subject (Phys. Rev. Lett. 80, 5389 (1998)) by providing details on diagrammatic rules and…
Strongly correlated phases of matter are often described in terms of straightforward electronic patterns. This has so far been the basis for studying the Fermi-Hubbard model realized with ultracold atoms. Here, we show that artificial intelligence (AI) can provide an unbiased alternative to this paradigm for phases with subtle, or even unknown, patterns. Long- and short-range spin correlations spontaneously emerge in filters of a convolutional neural network trained on snapshots of single atomic species. In the less well-understood strange metallic phase of the model, we find that a more compl…
We propose that the non-equilibrium current measured in the $a-b$ plane of an underdoped cuprate (in either the strange metal or pseudogap regime) in contact with either an overdoped cuprate or a standard Fermi liquid can be used diagnose how different the pseudogap and strange metals are from a Fermi liquid. Naively one expects the strange metal to be more different from a Fermi liquid than is the pseudogap. We compute the expected non-equilibrium transport signal with the three Green functions that are available in the literature: 1) marginal Fermi liquid theory, 2) the phenomenological ansa…
Electronic correlated systems are often well described by dynamical mean field theory (DMFT). While DMFT studies have mainly focused hitherto on one-particle properties, valuable information is also enclosed into local two-particle Green's functions and vertices. They represent the main ingredient to compute momentum-dependent response functions at the DMFT level and to treat non-local spatial correlations at all length scales by means of diagrammatic extensions of DMFT. The aim of this paper is to present a DMFT analysis of the local reducible and irreducible two-particle vertex functions for…
Extended strange metal and superconductivity in partially filled moiré Hubbard bands
Cornell University（康奈尔大学）；Max Planck Institute for the Structure and Dynamics of Matter（马普物质结构与动力学研究所）；Laboratory of Atomic and Solid State Physics, Cornell University（康奈尔大学原子与固态物理实验室）；Kavli Institute at Cornell for Nanoscale Science（康奈尔纳米科学卡弗里研究所）；University of Delaware（特拉华大学）；National Institute for Materials Science（日本国立材料研究所）
Diagrammatic expansions are a central tool for treating correlated electron systems. At thermal equilibrium, they are most naturally defined within the Matsubara formalism. However, extracting any dynamic response function from a Matsubara calculation ultimately requires the ill-defined analytical continuation from the imaginary- to the real-frequency domain. It was recently proposed [Phys. Rev. B 99, 035120 (2019)] that the internal Matsubara summations of any interaction-expansion diagram can be performed analytically by using symbolic algebra algorithms. The result of the summations is then…
Recently, diagrammatic extensions of dynamical mean field theory (DMFT) have been proposed for including short- and long-range correlations beyond DMFT on an equal footing. We employ one of these, the dynamical vertex approximation (D$Γ$A), and study the two-dimensional Hubbard model on a square lattice. We define two transition lines in the phase diagram which correspond, respectively, to the opening of the gap in the nodal direction and throughout the Fermi surface. Our self-energy data show that the evolution between the two regimes occurs in a gradual way (crossover) and also that at low e…
We present a large-scale combinatorial-diagrammatic computation of high-order contributions to the strong-coupling Kato-Takahashi perturbation series for the Hubbard model in high dimensions. The ground-state energy of the Mott-insulating phase is determined exactly up to the 15-th order in 1/U. The perturbation expansion is extrapolated to infinite order and the critical behavior is determined using the Domb-Sykes method. We compare the perturbative results with two dynamical mean-field theory (DMFT) calculations using a quantum Monte Carlo method and a density-matrix renormalization group me…
The Sachdev-Ye-Kitaev (SYK) model describes a strange metal that shows peculiar non-Fermi liquid properties without quasiparticles. It exhibits a maximally chaotic behavior characterized by out-of-time-ordered correlators (OTOCs), and is expected to be a holographic dual to black holes. Recently, a striking similarity between the SYK model and the Hund-coupling induced spin-freezing crossover in multi-orbital Hubbard models has been pointed out. To further explore this connection, we study OTOCs for fermionic Hubbard models, which are prototypical models for strongly correlated electrons in so…
The ground state of the Hubbard model with nearest-neighbor hopping on the square lattice at half filling is known to be that of an antiferromagnetic (AFM) band insulator for any on-site repulsion. At finite temperature, the absence of long-range order makes the question of how the interaction-driven insulator is realized nontrivial. We address this problem with controlled accuracy in the thermodynamic limit using self-energy diagrammatic determinant Monte Carlo and dynamical cluster approximation methods and show that development of long-range AFM correlations drives an extended crossover fro…
We introduce a Cellular Dynamical Cluster Approximation (CDCA) to study the nature of the Mott insulator-metal transition in the extended Hubbard model on a square lattice. At strong coupling, a d-wave Mott insulator is obtained. Hole doping drives a first order Mott transition to a non-Fermi (nFL) liquid metal. Remarkably, this nFL is caused by an Anderson orthogonality catastrophe at low energies due to the non-trivial competition between strong, non-local interactions and hopping. This constitutes the first explicit realisation of Anderson's Luttinger liquid idea in two dimensions. Many exp…
We present an efficient diagrammatic method to describe nonlocal correlation effects in lattice fermion Hubbard-like models, which is based on a change of variables in the Grassmann path integrals. The new fermions are dual to the original ones and correspond to weakly interacting quasiparticles in the case of strong local correlations in the Hubbard model. The method starts with dynamical mean-field theory as a zeroth-order approximation and includes non-local effects in a perturbative way. In contrast to cluster approaches, this method utilizes an exact transition to a dual set of variables.…
In the framework of the diagrammatic method with self-consistent field, the maximum on the temperature dependence of the susceptibility of a weakly doped narrow-band Hubbard magnet below the Curie temperature $T_{\rm C}$ is predicted. By numerical calculations, it is proved that it appears at small hole concentrations $n_{h}$. In this case, the temperature dependence of the magnetization $M$($T$) has a typical Fermi-like shape with the point of inflection at a temperature $T_{\rm inf}$. The approximate solution of the system of equations for the mean spin and the chemical potential gives the S…
We analyze behavior of correlated electrons described by Hubbard-like models at intermediate and strong coupling. We show that with increasing interaction a pole in a generic two-particle Green function is approached. The pole signals metal-insulator transition at half filling and gives rise to a new vanishing ``Kondo'' scale causing breakdown of weak-coupling perturbation theory. To describe the critical behavior at the metal-insulator transition a novel, self-consistent diagrammatic technique with two-particle Green functions is developed. The theory is based on the linked-cluster expansion …
We study the phase diagram of the two-dimensional repulsive Hubbard model with spin-dependent anisotropic hopping at half-filling. The system develops Ising antiferromagnetic long-range order already at infinitesimal repulsive interaction strength in the ground state. Outside the perturbative regime, unbiased predictions for the critical temperatures of the Ising antiferromagnet are made for representative interaction values by a variety of state-of-the-art quantum Monte Carlo methods, including the diagrammatic Monte Carlo, continuous-time determinantal Monte Carlo and path-integral Monte Car…
The Hubbard model is the simplest model that is believed to exhibit superconductivity arising from purely repulsive interactions, and has been extensively applied to explore a variety of unconventional superconducting systems. Here we study the evolution of the leading superconducting instabilities of the single-orbital Hubbard model on a two-dimensional square lattice as a function of onsite Coulomb repulsion $U$ and band filling by calculating the irreducible particle-particle scattering vertex obtained from dynamical cluster approximation (DCA) calculations, and compare the results to both …
We investigate the momentum-resolved spin and charge susceptibilities, as well as the chemical potential and double occupancy in the two-dimensional Hubbard model as functions of doping, temperature and interaction strength. Through these quantities, we identify a weak-coupling regime, a strong-coupling regime with short-range correlations and an intermediate-coupling regime with long magnetic correlation lengths. In the spin channel, we observe an additional crossover from commensurate to incommensurate correlations. In contrast, we find charge correlations to be only short ranged for all stu…
We discuss current carrying non-equilibrium steady state of an open fermionic Hubbard chain that is strongly driven by markovian incoherent processes localized at the chain ends. An explicit form of exact many-body density operator for any value of the coupling parameter is presented. The structure of a matrix product form of the solution is encoded in terms of a novel diagrammatic technique which should allow for generalization to other integrable non-equillibrium models.
