Nonequilibrium dynamical mean-field theory based on weak-coupling perturbation expansions: Application to dynamical symmetry breaking in the Hubbard model
We discuss the general formalism and validity of weak-coupling perturbation theory as an impurity solver for nonequilibrium dynamical mean-field theory. The method is implemented and tested in the Hubbard model, using expansions up to fourth order for the paramagnetic phase at half filling and third order for the antiferromagnetic and paramagnetic phase away from half filling. We explore various types of weak-coupling expansions and examine the accuracy and applicability of the methods for equilibrium and nonequilibrium problems. We find that in most cases an expansion of local self-energy diagrams including all the tadpole diagrams with respect to the Weiss Green's function (bare-diagram expansion) gives more accurate results than other schemes such as self-consistent perturbation theory using the fully interacting Green's function (bold-diagram expansion). In the paramagnetic phase at half filling, the fourth-order bare expansion improves the result of the second-order expansion in the weak-coupling regime, while both expansions suddenly fail at some intermediate interaction strength. The higher-order bare perturbation is especially advantageous in the antiferromagnetic phase near half filling. We use the third-order bare perturbation expansion within the nonequilibrium dynamical mean-field theory to study dynamical symmetry breaking from the paramagnetic to the antiferromagnetic phase induced by an interaction ramp in the Hubbard model. The results show that the order parameter, after an initial exponential growth, exhibits an amplitude oscillation around a nonthermal value followed by a slow drift toward the thermal value. The transient dynamics seems to be governed by a nonthermal critical point, associated with a nonthermal universality class, which is distinct from the conventional Ginzburg-Landau theory.
A theory is presented for a nonequilibrium phase transition in the two-dimensional Hubbard model coupled to electrodes. Nonequilibrium magnetic and superconducting phase diagram is determined by the Keldysh method, where the electron correlation is treated in the fluctuation exchange approximation. The nonequilibrium distribution function in the presence of electron correlation is evoked to capture a general feature in the phase diagram.
Resonant inelastic X-ray scattering (RIXS) detects various types of high- and low-energy elementary excitations in correlated solids, and this tool will play an increasingly important role in investigations of time-dependent phenomena in photo-excited systems. While theoretical frameworks for the computation of equilibrium RIXS spectra are well established, the development of appropriate methods for nonequilibrium simulations are an active research field. Here, we apply a recently developed nonequilibrium dynamical mean field theory (DMFT) based approach to compute the RIXS response of photo-e…
We show that the recently proposed cooling-by-doping mechanism allows to efficiently prepare interesting nonequilibrium states of the Hubbard model. Using nonequilibrium dynamical mean field theory and a particle-hole symmetric setup with dipolar excitations to full and empty bands we produce cold photo-doped Mott insulating states with a sharp Drude peak in the optical conductivity, a superconducting state in the repulsive Hubbard model with an inverted population, and $η$-paired states in systems with a large density of doublons and holons. The reshuffling of entropy into full and empty band…
We study the single-band Hubbard model in the presence of a large spatially uniform electric field out of equilibrium. Using the Keldysh nonequilibrium formalism, we solve the problem using perturbation theory in the Coulomb interaction U. We present numerical results for the charge current, the total energy of the system and the double occupancy on an infinite-dimensional hypercubic lattice with nearest-neighbor hopping. The system is isolated from an external bath and is in the paramagnetic state. We show that an electric field pulse can drive the system to a steady nonequilibrium state, whi…
Nonlinear transport in the one dimensional Hubbard model at half-filling under a finite bias voltage is investigated by the adaptive time-dependent density matrix renormalization group method. For repulsive on-site interaction, dielectric breakdown of the Mott insulating ground state to a current-carrying nonequilibrium steady state is clearly observed when the voltage exceeds the charge gap. It is found that by increasing the voltage further the current-voltage characteristics are scaled only by the charge gap and the scaling curve exhibits almost linear dependence on the voltage whose slope …
We present a straightforward implementation scheme for solving the time dependent Schrödinger equation for systems described by the Hubbard Hamiltonian with time dependent hoppings. The computations can be performed for clusters of up to 14 sites with in principle general geometry. For the time evolution, we use the exponential midpoint rule, where the exponentials are computed via a Krylov subspace method, which only uses matrix-vector multiplication. The presented implementation uses standard libraries for constructing sparse matrices and for linear algebra therefore the approach is easy to …
A model for nonequilibrium dynamical mean-field theory is constructed for the infinite dimensional Hubbard lattice. We impose nonequilibrium by expressing the physical orbital as a superposition of a left-($L$) moving and right-($R$) moving electronic state with the respective chemical potential $μ_L$ and $μ_R$. Using the second-order iterative perturbation theory we calculate the quasi-particle properties as a function of the chemical potential bias between the $L$ and $R$ movers, i.e. $Φ= μ_L - μ_R$. The evolution of the nonequilibrium quasi-particle spectrum is mapped out as a function of t…
The nonequilibrium variational-cluster approach is applied to study the real-time dynamics of the double occupancy in the one-dimensional Fermi-Hubbard model after different fast changes of hopping parameters. A simple reference system, consisting of isolated Hubbard dimers, is used to discuss different aspects of the numerical implementation of the approach in the general framework of nonequilibrium self-energy functional theory. Opposed to a direct solution of the Euler equation, its time derivative is found to serve as numerically tractable and stable conditional equation to fix the time-de…
Dynamical correlations and nonequilibrium sum rules in photodoped Hubbard ladders
School of Physical Sciences, The Open University（开放大学物理科学学院）；PASQAL SAS（帕斯卡尔公司）；Condensed matter physics and Material Science Division, Brookhaven National Laboratory（布鲁克海文国家实验室凝聚态物理与材料科学部）
We study dynamical phase transitions from antiferromagnetic to paramagnetic states driven by an interaction quench in the fermionic Hubbard model using the nonequilibrium dynamical mean-field theory. We identify two dynamical transition points where the relaxation behavior qualitatively changes: one corresponds to the thermal phase transition at which the order parameter decays critically slowly in a power law $\propto t^{-1/2}$, and the other is connected to the existence of nonthermal antiferromagnetic order in systems with effective temperature above the thermal critical temperature. The fr…
The nonequilibrium dynamics of strongly-correlated fermions in lattice systems have attracted considerable interest in the condensed matter and ultracold atomic-gas communities. While experiments have made remarkable progress in recent years, there remains a need for the further development of theoretical tools that can account for both the nonequilibrium conditions and strong correlations. For instance, time-dependent theoretical quantum approaches based on the density matrix renormalization group (DMRG) methods have been primarily applied to one-dimensional setups. Recently, two-dimensional …
We theoretically investigate the effects of the lattice geometry on the nonequilibrium dynamics of photo-excited carriers in a half-filled two-dimensional Hubbard model. Using a nonequilibrium generalization of the dynamical cluster approximation, we compare the relaxation dynamics in lattices which interpolate between the triangular lattice and square lattice configuration and thus reveal the role of the geometric frustration in these strongly correlated nonequilibrium systems. In particular, we show that the cooling effect resulting from the disordering of the spin background is less effecti…
We perform an ab-initio comparison between nonequilibrium dynamical mean-field theory and optical lattice experiments by studying the time evolution of double occupations in the periodically driven Fermi-Hubbard model. For off-resonant driving, the range of validity of a description in terms of an effective static Hamiltonian is determined and its breakdown due to energy absorption close to resonance is demonstrated. For near-resonant driving, we investigate the response to a change in driving amplitude and discover an asymmetric excitation spectrum with respect to the detuning. In general, we…
We review recent developments in the theory of interacting quantum many-particle systems that are not in equilibrium. We focus mainly on the nonequilibrium generalizations of the flow equation approach and of dynamical mean-field theory (DMFT). In the nonequilibrium flow equation approach one first diagonalizes the Hamiltonian iteratively, performs the time evolution in this diagonal basis, and then transforms back to the original basis, thereby avoiding a direct perturbation expansion with errors that grow linearly in time. In nonequilibrium DMFT, on the other hand, the Hubbard model can be m…
Motivated by recent experiments in ultracold atomic gases that explore the nonequilibrium dynamics of interacting quantum many-body systems, we investigate the opposite limit of Landau's Fermi liquid paradigm: We study a Hubbard model with a sudden interaction quench, that is the interaction is switched on at time t=0. Using the flow equation method, we are able to study the real time dynamics for weak interaction U in a systematic expansion and find three clearly separated time regimes: i) An initial buildup of correlations where the quasiparticles are formed. ii) An intermediate quasi-steady…
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.
We derive a general procedure for evaluating the ${\rm n}$th derivative of a time-dependent operator in the Heisenberg representation and employ this approach to calculate the zeroth to third spectral moment sum rules of the retarded electronic Green's function and self-energy for a system described by the Holstein-Hubbard model allowing for arbitrary spatial and time variation of all parameters (including spatially homogeneous electric fields and parameter quenches). For a translationally invariant (but time-dependent) Hamiltonian, we also provide sum rules in momentum space. The sum rules ca…
The nonequilibrium dynamics of correlated charge transfer along a one-dimensional chain in presence of a phonon environment is investigated within a dissipative Hubbard model. For this generalization of the ubiquitous spin-boson model the crucial role of symmetries is analysed in detail and corresponding invariant subspaces are identified. It is shown that the time evolution typically occurs in each of the disjunct subspaces independently leading e.g. asymptotically to a non-Boltzmann equilibrium state. Based on these findings explicit results are obtained for two interacting electrons by mean…
We present a framework of semiclassical superconductivity (SC) dynamics that properly includes effects of spatial fluctuations for the attractive Hubbard model. We consider both coherent and adiabatic limits. To model the coherent SC dynamics, we develop a real-space von~Neumann equation based on the time-dependent Hartree-Fock-Bogoliubov theory. Applying our method to interaction quenches in the negative-$U$ Hubbard model, we show that the relaxation of SC order at weak coupling is dominated by Landau-damping. At strong coupling, we find a two-stage relaxation of the pairing field: a collapse…
We solve the impurity problem which arises within nonequilibrium dynamical mean-field theory for the Hubbard model by means of a self-consistent perturbation expansion around the atomic limit. While the lowest order, known as the non-crossing approximation (NCA), is reliable only when the interaction U is much larger than the bandwidth, low-order corrections to the NCA turn out to be sufficient to reproduce numerically exact Monte Carlo results in a wide parameter range that covers the insulating phase and the metal-insulator crossover regime at not too low temperatures. As an application of t…
We investigate spontaneously symmetry breaking states in the attractive SU($N$) Hubbard model at half filling. Combining dynamical mean-field theory with the continuous-time quantum Monte Carlo method, we obtain the finite temperature phase diagrams for the superfluid state. When $N>2$, the second-order phase transition occurs in the weak coupling region, while the first-order phase transition with the hysteresis appears in the strong coupling region. We also discuss the stability of the density wave state and clarify the component dependence of the maximum critical temperature.
Using the Lindblad equation approach, we derive the range of the parameters of an interacting one-dimensional electronic chain connected to two reservoirs in the large bias limit in which an optimal working point (corresponding to a change in the monotonicity of the stationary current as a function of the applied bias) emerges in the nonequilibrium stationary state. In the specific case of the one-dimensional spinless fermionic Hubbard chain, we prove that an optimal working point emerges in the dependence of the stationary current on the coupling between the chain and the reservoirs, both in …
We investigate the half-filled two-orbital Hubbard model with the crystalline electric field using dynamical mean-field theory combined with the continuous-time quantum Monte Carlo simulations. We systematically study how the interplay of the intra- and interorbital Coulomb interations together with the Hund coupling realizes the diagonal and off-diagonal ordered states. It is found that the antiferroorbital ordered state is realized in the Hubbard model, in addition to the antiferromagnetically ordered and excitonic states. The competition between the antiferroorbital ordered and excitonic st…
We study the effect of spatially nonlocal correlations on the nonequilibrium dynamics of interacting fermions by constructing the nonequilibrium dynamical cluster theory, a cluster generalization of the nonequilibrium dynamical mean-field theory (DMFT). The formalism is applied to interaction quenches in the Hubbard model in one and two dimensions, and the results are compared with data from single-site DMFT, the time-dependent density matrix renormalization group, and lattice perturbation theory. Both in one and two dimensions the double occupancy quickly thermalizes, while the momentum distr…
The description of the dynamics of correlated electrons in quantum impurity models is typically described within the nonequilibrium Green function formalism combined with a suitable approximation. One common approach is based on the equation-of-motion technique often used to describe different regimes of the dynamic response. Here, we show that this approach may violate certain symmetry relations that must be fulfilled by the definition of the Green functions. These broken symmetries can lead to unphysical behavior. To circumvent this pathological shortcoming of the equation-of-motion approach…
The phase diagram of the Hubbard model is studied at weak coupling in two and three spatial dimensions. It is shown that the Neel temperature and the order parameter in d=3 are smaller than the Hartree-Fock predictions by a factor of q=0.2599. For d=2 we show that the self-consistent (sc) perturbation series bears no relevance to the behavior of the exact solution of the Hubbard model in the symmetry-broken phase. We also investigate an anisotropic model and show that the coupling between planes is essential for the validity of mean-field-type order parameters.
We study the stability of the time-reversal symmetry breaking staggered flux phase of a single band Hubbard model, within the Variational Cluster Approach (VCA). For intermediate and small values of the interaction $U$, we find metastable solutions for the staggered flux phase, with a maximum current per bond at $U\approx 3.2$. However, allowing for antiferromagnetic and superconducting long-range order it turns out that in the region at and close to half filling the antiferromagnetic phase is the most favorable energetically. The effect of nearest-neighbour interaction is also considered. Our…
We derive expressions for the zeroth and the first three spectral moment sum rules for the retarded Green's function and for the zeroth and the first spectral moment sum rules for the retarded self-energy of the inhomogeneous Bose-Hubbard model in nonequilibrium, when the local on-site repulsion and the chemical potential are time-dependent, and in the presence of an external time-dependent electromagnetic field. We also evaluate these moments for equilibrium, where all time dependence and external fields vanish. Unlike similar sum rules for the Fermi-Hubbard model, in the Bose-Hubbard model c…
The phases with spontaneously broken symmetries corresponding to antiferromagnetic and d-wave superconducting order in the two-dimensional t-t'-Hubbard model are investigated by means of the functional renormalization group. The introduction of composite boson fields in the magnetic, charge density and superconducting channels allows an efficient parameterization of the four-fermion vertex and the study of regimes where either the antiferromagnetic or superconducting order parameter, or both, are nonzero. We compute the phase diagram and the temperature dependence of the order parameter below …
Using nonequilibrium dynamical mean-field theory, we study the isolated Hubbard model in a static electric field in the limit of weak interactions. Linear response behavior is established at long times, but only if the interaction exceeds a critical value, below which the system exhibits an AC-type response with Bloch oscillations. The transition from AC to DC response is defined in terms of the universal long-time behavior of the system, which does not depend on the initial condition.
We study quenches of the interaction and electron-phonon coupling parameter in the Hubbard-Holstein model, using nonequilibrium dynamical mean field theory. The calculations are based on a generalized Lang-Firsov scheme for time-dependent interactions or externally driven phonons, and an approximate strong-coupling impurity solver. The interaction quench calculations reveal the phonon-assisted decay of excess doublons, while the quenches of the electron-phonon coupling lead to persistent oscillations of the phonons and to a phonon-enhanced doublon production.
We demonstrate a first order metal-insulator phase transition in the repulsive, fully frustrated, single-band Hubbard model as a function of the coupling to a fermion bath. Time dependent manipulation of the bath coupling allows switching between metallic and insulating states both across the phase transition and within the coexistence region. We propose a simple nanoelectronic device for experimentally realizing dynamic control of the bath coupling. Analysis of the device characteristics shows that it can act as a two-terminal memristor.
We derive an exact mapping from the action of nonequilibrium dynamical mean-field theory (DMFT) to a single-impurity Anderson model (SIAM) with time-dependent parameters, which can be solved numerically by exact diagonalization. The representability of the nonequilibrium DMFT action by a SIAM is established as a rather general property of nonequilibrium Green functions. We also obtain the nonequilibrium DMFT equations using the cavity method alone. We show how to numerically obtain the SIAM parameters using Cholesky or eigenvector matrix decompositions. As an application, we use a Krylov-based…
The recent experimental implementation of condensed matter models in optical lattices has motivated research on their nonequilibrium behavior. Predictions on the dynamics of superconductors following a sudden quench of the pairing interaction have been made based on the effective BCS Hamiltonian; however, their experimental verification requires the preparation of a suitable excited state of the Hubbard model along a twofold constraint: (i) a sufficiently nonadiabatic ramping scheme is essential to excite the nonequilibrium dynamics, and (ii) overheating beyond the critical temperature of supe…
We present a formalism based on nonequilibrium dynamical mean field theory (DMFT) which allows to compute the time-resolved X-ray absorption spectrum (XAS) of photo-excited solids. By applying this formalism to the photo-doped half-filled and quarter-filled two-orbital Hubbard models in the Mott insulating regime we clarify how the time-resolved XAS signal reflects the nonequilibrium population of different local states. Apart from the missing broadening associated with continuum excitations, the atomic XAS spectrum computed with the nonthermal state populations provides a good approximation t…
The formalism for exactly calculating the retarded and advanced Green's functions of strongly correlated lattice models in a uniform electric field is derived within dynamical mean-field theory. To illustrate the method, we solve for the nonequilibrium density of states of the Hubbard model in both the metallic and Mott insulating phases at half-filling (with an arbitrary strength electric field) by employing the numerical renormalization group as the impurity solver. This general approach can be applied to any strongly correlated lattice model in the limit of large dimensions.
We present a generalized dynamical mean-field approach for the nonequilibrium physics of a strongly correlated system in the presence of a time-dependent external field. The Keldysh Green's function formalism is used to study the nonequilibrium problem. We derive a closed set of self-consistency equations in the case of a driving field with frequency Omega and wave vector q. We present numerical results for the local frequency-dependent Green's function and the self-energy for different values of the field amplitude in the case of a uniform external field using the iterated perturbation theory…
Hirsch's dynamic Hubbard model describes the effect of orbital expansion with occupancy by coupling the doublon operator to an auxiliary boson. We use the nonequilibrium dynamical mean field method to study the properties of doublon and hole carriers in this model in the strongly correlated regime. In particular, we discuss how photodoping leads to doublon and hole populations with different effective temperatures, and we analyze the relaxation behavior as a function of the boson coupling and boson energy. In the polaronic regime, the nontrivial energy exchange between doublons, holes and boso…
Finite lattice models are a prototype for strongly correlated quantum systems and capture essential properties of condensed matter systems. With the dramatic progress in ultracold atoms in optical lattices, finite fermionic Hubbard systems have become directly accessible in experiments, including their ultrafast dynamics far from equilibrium. Here, we present a theoretical approach that is able to treat these dynamics in any dimension and fully includes inhomogeneity effects. The method consists in stochastic sampling of mean-field trajectories and is found to be more accurate and efficient th…
We study the time evolution of the antiferromagnetic order parameter after interaction quenches in the Hubbard model. Using the nonequilibrium dynamical mean field formalism, we show that the system, after a quench from intermediate to strong interaction, is trapped in a nonthermal state which is reminiscent of a photo-doped state and protected by the slow decay of doublons. If the effective doping of this state is low enough, it exhibits robust antiferromagnetic order, even if the system is highly excited and the thermal state thus expected to be paramagnetic. We comment on the implication of…
Competing interactions are often responsible for intriguing phase diagrams in correlated electron systems. Here we analyze the competition of instantaneous short range Coulomb interaction $U$ with the retarded electron-electron interaction induced by an electron-phonon coupling $g$ as described by the Hubbard-Holstein model. The ground state phase diagram of this model in the limit of large dimensions at half filling is established. The study is based on dynamical mean field theory combined with the numerical renormalization group. Depending on $U$, $g$, and the phonon frequency $ω_0$, the gro…
We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard and of the long-range Coulomb interactions on the charge redistribution at the interface. We provide a detailed study of the importance of the various system parameters, like Hubbard $U$, lead-correlated region coupling strength, and the applied voltage on the charge distribution in the correlated region and in the adjacent parts of the leads. Our results are…
Relaxation of electrons in a Hubbard model coupled to a dissipative bosonic bath is studied to simulate the pump-probe photoemission measurement. From this insight, we propose an experimental method of eliciting unoccupied part of the single-particle spectra at the equilibrium of doped-Mott insulators. We reveal first that effective temperatures of distribution functions and electronic spectra are different during the relaxation, which makes the frequently employed thermalization picture inappropriate. Contrary to the conventional analysis, we show that the unoccupied spectra at equilibrium ca…
Twisted bilayer transition metal dichalcogenides have emerged as important model systems for the investigation of correlated electron physics because their interaction strength, carrier concentration, band structure, and inversion symmetry breaking are controllable by device fabrication, twist angle, and most importantly, gate voltage, which can be varied in situ. The low energy physics of some of these materials has been shown to be described by a "moiré Hubbard model" generalized from the usual Hubbard model by the addition of strong, tunable spin orbit coupling and inversion symmetry breaki…
We study the interplay of nematic and superconducting order in the two-dimensional Hubbard model and show that they can coexist, especially when superconductivity is not the energetically dominant phase. Due to a breaking of the $C_4$ symmetry, the coexisting phase inherently contains admixture of the $s$-wave pairing components. As a result, the superconducting gap exhibits very non-standard features including changed nodal directions. Our results also show that in the optimally doped regime the superconducting phase is typically unstable towards developing nematicity (breaking of the $C_4$ s…
By employing the time-dependent Lanczos method, the nonequilibrium process of the half-filled one-dimensional extended Hubbard model under the irradiation of a transient laser pulse is investigated. We show that in the spin-density-wave (SDW) phase, the antiferromagnetic spin correlations are impaired by the photoinduced charge carriers. Near the phase boundary between the SDW and charge-density-wave (CDW) phases, a local enhancement of charge (spin) order that is absent in the original SDW (CDW) phase can be realized with proper laser frequency and strength. The possibility of restoration of …
In this paper we consider the simplified form that a recently introduced general operator description of the Hubbard model on the square lattice with $N_a^2\gg 1$ sites, effective transfer integral $t$, and onsite repulsion $U$ has in a suitable one- and two-electron subspace. Such an operator description is that consistent with the model exact global symmetry recently extended to $SO(3)\times SO(3)\times U(1)$. There is a large consensus that in the thermodynamic limit $N_a^2\rightarrow\infty$ long-range antiferromagnetic order occurs in the spin-density $m=0$ ground state of the half-filled …
We study the single-orbital Hubbard model on the half-filled decorated honeycomb lattice. In the non-interacting theory at half-filling the Fermi energy lies within a flat band where strong correlations are enhanced. The lattice is highly frustrated. We find a correlation driven first-order metal-insulator transition to two different insulating ground states - a dimer valence bond solid Mott insulator when inter-triangle correlations dominate, and a broken $\mathcal{C}_3$-symmetry antiferromagnet that arises from frustration when intra-triangle correlations dominate. The metal-insulator transi…
