Nonequilibrium dynamics of interacting quantum many-body physics has recently attracted great attention. The authors address here the nonequilibrium dynamics of a single electron interacting through a Holstein-like coupling with dispersionless phonons on a one dimensional lattice. Using diagonalization in a limited functional space, they identify two different regimes: (1) the relaxation regime where, during a characteristic time scale, a net energy is transferred between the electronic and the phononic subsystem; and (2) the stationary regime, characterized by zero energy transfer and by persisting coherent oscillations in the dynamics of observables.
Nonequilibrium dynamics of interacting quantum many-body physics has recently attracted great attention. The authors address here the nonequilibrium dynamics of a single electron interacting through a Holstein-like coupling with dispersionless phonons on a one dimensional lattice. Using diagonalization in a limited functional space, they identify two different regimes: (1) the relaxation regime where, during a characteristic time scale, a net energy is transferred between the electronic and the phononic subsystem; and (2) the stationary regime, characterized by zero energy transfer and by persisting coherent oscillations in the dynamics of observables.
The spectral response and physical features of the 2D Hubbard-Holstein model are calculated both in equilibrium at zero and low chemical dopings, and after an ultrashort powerful light pulse, in undoped systems. At equilibrium and at strong charge-lattice couplings, the optical conductivity reveals a three-peak structure in agreement with experimental observations. After an ultrashort pulse and at nonzero electron-phonon interaction, phonon and spin subsystems oscillate with the phonon period T(ph)≈80 fs. The decay time of the phonon oscillations is about 150-200 fs, similar to the relaxation time of the charge system. We propose a criterion for observing these oscillations in high T(c) compounds: the time span of the pump light pulse τ(pump) has to be shorter than the phonon oscillation period T(ph).
Nonequilibrium interplay between charge, spin, and lattice degrees of freedom on a square lattice is studied for a single charge carrier doped in the t-J-Holstein model. In the presence of a static electric field we calculate the quasistationary state. With increasing electron-phonon (e-ph) coupling the carrier mobility decreases; however, we find increased steady state current due to e-ph coupling in the regime of negative differential resistance. We explore the distribution of absorbed energy between the spin and the phonon subsystem. For model parameters as relevant for cuprates, the majority of the gained energy flows into the spin subsystem.
Optimizing various properties of materials have been under intensive focus for many decades. In recent years, the exposure of ultrafast techniques enhance the possibility of seizing this goal. As by employing these techniques, one can expose the system under strong short fields, and investigate the transient response of various low-lying excitations. Such studies will strengthen our understanding of interplays among various degrees of freedom in correlated materials, and thereby facilitate the chance to manipulate different properties of these systems. Of our particular attention is the electron-lattice dynamics, where modulating a particular vibrational mode of the crystal lattice, will lead to the emergence of new quasi stable'' lattice structures as well as novel transient phenomena. Aside from these experimental prospects, the above mentioned goals were also the subject of an extensive theoretical studies. In this thesis, we investigated the in and out of equilibrium dynamics of electronic systems which are interacting with lattice degrees of freedom. We employed the two-time Keldysh Green's function within the framework of the dynamical mean field theory to conduct our researches on this subject. In our first attempt, we studied the dynamical response of a one-electron system under a linear electron-lattice interaction. We explored the real-time formation of a bound quasiparticle, known as a polaron, under various parameter regimes of the model. We presented that when the carrier is suddenly coupled to the lattice degrees of freedom, the long-time response of the system in the strong coupling limit exhibits both bound, polaronic, and unbound, delocalized, states. We characterized the nature of such a mixed state using the adiabatic picture of the model. We also showed that the formed polaron is dressed by excited phononic states, in contrast to its equilibrium counterpart, where the ground-state phononic states are bounding the electron. We also addressed the response of a many-body electronic system, weakly coupled to a bosonic bath, under various time dependent excitations, which brings the system to a bad-metallic phase. We employed a model which treated the Coulomb repulsive interaction locally. We presented that the relaxation of this excited state varies by the strength of the electron-electron interaction. We demonstrated that, for both insulating and metallic regimes of the system, a slow relaxation dynamics can be observed close to the phase transition from the metallic to insulating regimes of the system. Our analysis revealed that in the metallic side, this slow evolution is rooted in the spin-related physics of the problem. However, in the insulating regimes of the model, our results showed that presence of a gap in the spectral density of the insulating system prohibits the relaxation of the excited particles. We also studied the associated timescale for the adiabatic dynamics near the Mott transition. Our results exhibited that there is a nonadiabatic window'' in the metallic side of the phase transition, in which the adiabatic timescale is extremely long. We pointed out that the presence of such a window is intertwined with the slow relaxation timescale of the spin-related dynamics close to the Mott transition. We also captured an induced metallic phase near metal-to-insulator transition out of equilibrium. We initiated this study using the slave-rotor impurity solver, which is been coupled to the self-energies obtained from the first-order Luttinger-Ward functional for the Phonon degrees of freedom. We presented the emergence of the larger spectral density at small frequencies both in metallic and insulating phases close to the phase transition, which is surrounded by pseudo gaps. We explored the physics of such spectral densities as well as their dependencies on the phononic parameters. We postulated that this response of the system is due to the evolution of the system, in a non-thermal mechanism, towards a temperature which is less than the initial temperature of the system, before coupling to the bath. We also pointed out that the associated very slow relaxation dynamics is the result of the formation of psuedo-gaps around the quasiparticle peak.
In this dissertation a newly developed numerical method is presented, which is optimized for the time evolution of one-dimensional lattice systems with large local Hilbert spaces. This method extends the time-evolving block-decimation (TEBD) to include a local basis optimization (LBO), which has already been successfully combined with ground state methods. The algorithm is based on matrix product states (MPS), which can represent the quantum state of a one-dimensional chain in most cases with a number of parameters, that is not exponentially increasing with the chain length. The LBO causes a reduction of the simulation times that is linear in the bond dimension of the MPS. To demonstrate the advantages of this method, we apply the TEBD-LBO to electron-phonon (e-p) systems. In this thesis these are described by the Holstein model, which goes beyond semi-classical approximations and covers the full quantum statistics of the phonons. The understanding of the nonequilibrium dynamics of charge carriers coupled to lattice vibrations is of great importance for research areas like transport through quasi one-dimensional conductors, photo-generated phase transitions and time-resolved spectroscopy. First, the energy transfer from a highly excited electron to the phononic degrees of freedom on a small chain is studied. In the various parameter regimes different types of relaxation occur. In any case, after a certain time the system reaches a state, where on average no energy is exchanged between the electron and phonons. This can either mean a constant kinetic energy or oscillations with a constant amplitude and frequency. Next, long perfectly conducting leads without coupling to phonons were attached on both sides of the small chain. In the left lead an electron with density distribution in the shape of a Gaussian wave packet is injected with momentum towards the e-p coupled structure in the middle. This structure acts as an impurity in an otherwise perfectly conducting chain. The investigation shows resonance effects in the transmission and reflection at this impurity. Further, the electron can transfer a part of its energy permanently to the phonons, which results in a reduction of the velocity. Finally, two mechanisms are presented that lead to self-trapping of the electron on the e-p coupled structure.
We investigate the nonequilibrium dynamics of the weak-coupling Hubbard-Holstein model after a sudden switch-on of the electron-phonon interaction within nonequilibrium dynamical mean-field theory (DMFT). Using the self-consistent Migdal approximation for the electron-phonon coupling together with second-order perturbation theory for the electron-electron interaction, we show that the relaxation dynamics exhibits a crossover between electron-dominated and phonon-dominated regimes, extending to finite Hubbard interaction the scenario previously identified in the Holstein model. To investigate the microscopic buildup of the thermal state, we analyze the dynamics within the Step-by-Step DMFT framework. In the plane of real time and DMFT iteration number, thermalization is marked by a sharp propagating front. This front appears in electronic observables already for weak quenches within the simulated time window, whereas the phononic sector exhibits a visible front only at sufficiently strong coupling. Thus, at weak coupling the local dispersionless phonons show a delayed onset of front formation, while near and beyond the crossover the front develops on comparable timescales in both the electronic and phononic sectors. Whenever both fronts are resolved, they propagate with the same velocity, showing that thermalization spreads coherently through the coupled electron-phonon system.
Ultrafast pump-probe spectroscopy provides a powerful means to investigate electron-phonon (e-ph) interactions in strongly correlated systems. Nevertheless, the question of how different microscopic e-ph coupling mechanisms influence the lattice's nonequilibrium response has not been widely addressed. We perform time-dependent density matrix renormalization group simulations on a pumped one-dimensional Mott insulator coupled to phonons through either Holstein or Su-Schrieffer-Heeger (SSH) interactions. The electronic responses of the two models are qualitatively similar in the Mott-insulating regime and are governed by the same excitations and resonance conditions of the Hubbard model. In contrast, the lattice dynamics of the two models differ substantially. While the Hubbard-Holstein model exhibits long-lived coherent phonon oscillations when the pump resonates with the bare phonon frequency, no such oscillations are observed for the Hubbard-SSH model. These contrasting responses remain robust against changes in phonon frequency and pump parameters, suggesting that coherent lattice dynamics can provide a direct nonequilibrium probe of the microscopic form of e-ph coupling.