Problem: Several Real-time Evolution Of One-dimensional Correlated Systems With Organic Devices From Classical To Quantum

In this thesis, we use different time-dependent evolution methods to investigate several problems in one-dimensional strongly-correlated systems and organic devices.First, we investigate the spin/charge transport in a one-dimensional strongly cor-related system by using the adaptive time-dependent density-matrix renormalization group method. The model we consider is a non-half-filled Hubbard chain with a bond of controllable spin-dependent electron hoppings. For convenience we let hopping of spin down electron on this bond adjustable. It is found that this special bond causes a blockade of spin current with little influence on charge current. To understand more clearly, we have considered two cases:(1) the spread of a wave packet of both spin and charge in the Hubbard chain and (2) the spin and charge currents induced by a spin-dependent voltage bias that is applied to the ideal leads attached at the ends of this Hubbard chain. It is found that the spin-charge separation plays a crucial role in the spin-current blockade, and one may utilize this phenomenon to observe the spin-charge separation directly.Meanwhile, within tDMRG, we also consider the influence of correlated effect on the motion of polaron in one-dimensional conjugated polymers. We first investigate the electron correlation effect on the dynamics of a charged polaron driven by an ex-ternal electric field, based on the one-dimensional tight-binding Su-Schrieffer-Heeger (SSH) model and the Hubbard model (HM). Our results show that the velocity of the polaron is suppressed by the on-site Coulomb interactions, U. The polaron can move with a supersonic velocity, about four times the sound velocity at the small U limit, and approaching the sound velocity at the large U limit. Furthermore, the dependence of polaron velocity on the lattice structure and the effective mass of polaron is dis-cussed. Another model we consider, it to introduce a magnetic impurity to polymers on a specific site. Then the polaron couples to this magnetic impurity via spin-exchange interactions, and its spin undergoes a spin-flip process if it is antiparallel to the impurity spin. Our numerical simulation shows that (a) spin-exchange between the polaron and the impurity allows the implementation of a swap gate and (b) polarons might be good candidates to be information carriers in molecular scale. Using device model mothod and cooperating with relative experimentists, we study the polarity transition of transient photovoltage (TPV) in organic single-layer photo-voltaic devices. Our theoretical investigation not only matches the experiments very well and also predicts a significant effect, say, the saturation of positive signal when the strength of light increases, which has been verified by our experiments. We also find that, this effect depends mainly on the mobility of minority carriers. We hereby suggest applying this effect as a new way to measure the corresponding mobility.Magnetoelectroluminescence (MEL) is an important component in magnetic field effect (MFE) of organic light emitting devices, while few researches on MEL, both theoretical and experimental, make it confusing that MEL shares the same origin with organic magnetoresistance (OMAR). In this work, we establish a two-process model consisting of exciton-generating (EG) and spin-mixing process. Using method of mix-ing hole transporting material and electron transporting layer, we conclude that hopping rates of carriers play an essential role in MEL. As expected by EG, we observe decay of MEL in materials with strong trapping ability. We utilize material with high energy transfer efficiency to remove singlet excitons, and the change of triplet is measured. Our findings imply that the intermolecular quantum correlation should be taken into account in organic MFE.Within a non-adiabatic dynamics method, we simulate polaron motion and polaron dissociation under an applied electric field in the presence of dissipation. The dissi-pation is introduced through a damping force on molecules. We find that, different from the step-like behavior in the absence of dissipation, the saturation velocity of the polaron exhibits a continuous dependence on the field strength in the presence of dissi-pation. In large damping cases, the saturation velocity almost has a linear dependence on the field strength. Besides, the saturation velocity also shows a linear relationship with damping. In addition, we find that, in the presence of dissipation, the critical field that dissociates a polaron is reduced, but for generation, it is increased.