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arXiv:1307.5946 · Physical Review B

Nonequilibrium dynamical cluster theory

Naoto Tsuji, Peter Barmettler, Hideo Aoki, Philipp Werner

Published Aug 11, 2014• 34 citations
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Abstract

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 distribution relaxes only on much longer time scales. For the two-dimensional square lattice we find a strongly momentum-dependent evolution of the momentum distribution around the Fermi energy, with a much faster relaxation near the momenta $(0,\ensuremath{\pi})$ and $(\ensuremath{\pi},0)$ than near $(\ensuremath{\pi}/2,\ensuremath{\pi}/2)$. This result is interpreted as reflecting the momentum-anisotropic quasiparticle lifetime of the marginal Fermi liquid. The method is further applied to the two-dimensional Hubbard model driven by a dc electric field, where the damping of the Bloch oscillation of the current is found to be less effective than predicted by DMFT and lattice perturbation theory.

DOI
10.1103/physrevb.90.075117

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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 distribution relaxes only on much longer time scales. For the two-dimensional square lattice we find a strongly momentum-dependent evolution of the momentum distribution around the Fermi energy, with a much faster relaxation near the momenta (0,\ensuremathπ)(0,\ensuremath{\pi})(0,\ensuremathπ) and (\ensuremathπ,0)(\ensuremath{\pi},0)(\ensuremathπ,0) than near (\ensuremathπ/2,\ensuremathπ/2)(\ensuremath{\pi}/2,\ensuremath{\pi}/2)(\ensuremathπ/2,\ensuremathπ/2). This result is interpreted as reflecting the momentum-anisotropic quasiparticle lifetime of the marginal Fermi liquid. The method is further applied to the two-dimensional Hubbard model driven by a dc electric field, where the damping of the Bloch oscillation of the current is found to be less effective than predicted by DMFT and lattice perturbation theory.
Nonlocal correlations play an essential role in correlated electron systems, especially in the vicinity of phase transitions and crossovers, where two-particle correlation functions display a distinct momentum dependence. In nonequilibrium settings, the effect of nonlocal correlations on dynamical phase transitions, prethermalization phenomena, and trapping in metastable states is not well understood. In this paper, we introduce a dynamical mean field theory (DMFT) extension to the nonequilibrium two-particle self-consistent (TPSC) approach, which allows to perform nonequilibrium simulations capturing short- and long-ranged nonlocal correlations in the weak-, intermediate-, and strong-correlation regimes. The method self-consistently computes local spin and charge vertices, from which a momentum-dependent self-energy is constructed. Replacing the local part of the self-energy by the DMFT result within this self-consistent scheme provides an improved description of local correlation effects. We explain the details of the formalism and the implementation, and demonstrate the versatility of DMFT+TPSC with interaction quenches and dimensional crossovers in the Hubbard model.
A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron correlation the one-electron Green's function is strongly spatially damped so that its intersite matrix elements may be considered as small perturbations. Because the non-local corrections are at least quadratic in these matrix elements, DMFT in such cases may be a very accurate approximation in dimensions d = 1-3. This observation provides a rigorous justification for the application of DMFT to physical systems. Furthermore, the technique allows for a systematic evaluation of the nonlocal corrections. This is illustrated with the calculation of the magnetic short range order parameter for nearest neighbor spins in the half filled Hubbard model on the square lattice in its insulating phase which exhibits an excellent agreement with the results of a recent cluster approach.As a second example we study the lowest order correction to the DMFT self-energy and its influence on the local density of states.
In this paper, we investigate how nonlocal correlations affect, selectively, the physics of correlated electrons over different energy scales, from the Fermi level to the band edges. This goal is achieved by applying a diagrammatic extension of dynamical mean field theory (DMFT), the dynamical vertex approximation $(\mathrm{D}\mathrm{\ensuremath{\Gamma}}\mathrm{A})$, to study several spectral and thermodynamic properties of the unfrustrated Hubbard model in two and three dimensions. Specifically, we focus first on the low-energy regime by computing the electronic scattering rate and the quasiparticle mass renormalization for decreasing temperatures at a fixed interaction strength. This way, we obtain a precise characterization of the several steps through which the Fermi-liquid physics is progressively destroyed by nonlocal correlations. Our study is then extended to a broader energy range, by analyzing the temperature behavior of the kinetic and potential energy, as well as of the corresponding energy distribution functions. Our findings allow us to identify a smooth but definite evolution of the nature of nonlocal correlations by increasing interaction: They either increase or decrease the kinetic energy w.r.t. DMFT depending on the interaction strength being weak or strong, respectively. This reflects the corresponding evolution of the ground state from a nesting-driven (Slater) to a superexchange-driven (Heisenberg) antiferromagnet (AF), whose fingerprints are, thus, recognizable in the spatial correlations of the paramagnetic phase. Finally, a critical analysis of our numerical results of the potential energy at the largest interaction allows us to identify possible procedures to improve the ladder-based algorithms adopted in the dynamical vertex approximation.
The study of nonequilibrium phenomena in correlated lattice systems has developed into one of the most active and exciting branches of condensed matter physics. This research field provides rich new insights that could not be obtained from the study of equilibrium situations, and the theoretical understanding of the physics often requires the development of new concepts and methods. On the experimental side, ultrafast pump-probe spectroscopies enable studies of excitation and relaxation phenomena in correlated electron systems, while ultracold atoms in optical lattices provide a new way to control and measure the time evolution of interacting lattice systems with a vastly different characteristic time scale compared to electron systems. A theoretical description of these phenomena is challenging because, first, the quantum-mechanical time evolution of many-body systems out of equilibrium must be computed and second, strong-correlation effects which can be of a nonperturbative nature must be addressed. This review discusses the nonequilibrium extension of the dynamical mean field theory (DMFT), which treats quantum fluctuations in the time domain and works directly in the thermodynamic limit. The method reduces the complexity of the calculation via a mapping to a self-consistent impurity problem, which becomes exact in infinite dimensions. Particular emphasis is placed on a detailed derivation of the formalism, and on a discussion of numerical techniques, which enable solutions of the effective nonequilibrium DMFT impurity problem. Insights gained into the properties of the infinite-dimensional Hubbard model under strong nonequilibrium conditions are summarized. These examples illustrate the current ability of the theoretical framework to reproduce and understand fundamental nonequilibrium phenomena, such as the dielectric breakdown of Mott insulators, photodoping, and collapse-and-revival oscillations in quenched systems. Furthermore, remarkable novel phenomena have been predicted by the nonequilibrium DMFT simulations of correlated lattice systems, including dynamical phase transitions and field-induced repulsion-to-attraction conversions.
Correlated, disordered lattice fermion systems out of equilibrium have been understudied, at least in part for lack of tools to study them. The development of a new method, the NE-DMFT+CPA, is explicated, for investigating the properties of these systems. This method combines DMFT and the CPA using the Kadanoff-Baym-Keldysh contour-time formalism to study the dynamics of interacting disordered systems out of equilibrium. The method is detailed, then applied to the case of the Anderson-Hubbard model: first to replicate well-known equilibrium results, then to study the case of the model under the effect of an interaction quench. Here the effect of disorder on the relaxation of the system is studied by the time-dependence of the energies and momentum distribution function, which display the screening of the Coulomb interaction by disorder. It is then used to examine the thermalization of the same system by using the fluctuation-dissipation theorem to extract the distribution function and thereby the effective temperature after relaxation. This allows the characterization of the effect of the interplay of the disorder strength and the Coulomb interaction on the thermalization behavior. It is found that the heating of the system due to the quench is mitigated by stronger disorder. Finally, current progress of the work to apply the method to binary alloy disorder and an interaction ramp is summarized. Binary disorder appears to have the effect of damping the initial transient of the potential energy more strongly than the comparable uniformly-disordered system. The relaxation of the energies under the effect of an interaction ramp suggests that the crossing of the kinetic energies may be affected by the form of the time-dependent interaction.
The study of the interplay between interaction-induced correlations and nonequilibrium initial conditions in many-body systems has recently attracted a lot of attention. New experimental techniques provide high control over many-body systems and systematic access to their nonequilibrium regime. In many systems the nonequilibrium properties of a Fermi liquid can be relevant. A first approach to their understanding is the main content of this thesis. At the beginning, nonequilibrium phenomena, Landau's theory of a Fermi liquid, the Hubbard model, time evolution in quantum mechanics, related experiments, and the flow equation method are reviewed. The key observation of this thesis, namely a characteristic mismatch of expectation values in equilibrium and nonequilibrium, is first illustrated for the squeezed oscillator. For this one-particle model Hamiltonian the perturbative approach can be compared with the exact solution and it is shown that the mismatch holds even beyond perturbation theory. Afterwards these observations are generalized to a larger class of one-particle models. Then the nonequilibrium behavior of a Fermi liquid is examined by analyzing the Fermi liquid phase of the Hubbard model in more than one dimension. After a sudden switch-on of a weak two-particle interaction to the noninteracting Fermi gas the relaxation of the many-body system is observed. For this purpose, the flow equation transformation is implemented for the Hubbard Hamiltonian. Then the discussion of the momentum distribution function and of the kinetic energy displays a three-step relaxation behavior of the Fermi liquid from the initial perturbation until thermalization is reached. Firstly, the sudden switch inserts excitation energy into the system which drives the following dynamics. Then a rapid initial build-up of correlations is caused by initial dephasing and leads to the establishment of a quasiparticle picture. By that the system enters into a quasi-stationary state which can be long-lasting for weak interaction. This state shows prethermalization of the kinetic energy which already has relaxed to its final values. However, the momentum distribution still resembles a zero temperature Fermi liquid. Its later relaxation on a second time scale is caused by a residual two-particle interaction which allows for scattering processes and can be described by a quantum Boltzmann equation. The physical origin of this delayed relaxation can be traced back to an interplay of translational invariance of the Hubbard model and the Pauli principle for fermions; together they restrict the phase space for scattering events. Comparing with similar work I conjecture on the generic nature of the findings made for the quenched Fermi liquid in other many-body systems. Finally I point out to the potential relevance of the delayed relaxation for the observation of further nonequilibrium phenomena, for instance in BCS systems. In order to extend the study of sudden switching to arbitrary switching processes the calculation is repeated using the Keldysh perturbation theory. First evaluations for a linear increase of the interaction strength are given. Extensions of this work are suggested and may motivate further research.