We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic leads. The
electron-phonon coupled structure is represented by the Holstein model. We observe permanent energy transfer from the electron to the phonon system (dissipation), transient self-trapping of the electron in the electron-phonon coupled structure (due to polaron formation and multiple reflections at the structure edges), and transmission resonances that depend strongly on the strength of the electron-phonon coupling and the adiabaticity ratio. A recently developed TEBD algorithm, optimized for bosonic degrees of freedom, is used to simulate the quantum dynamics of a wave packet launched against the electron-phonon coupled structure. Exact results are calculated for a single electron-phonon site using scattering theory and analytical approximations are obtained for limiting cases.
We consider the effects of Umklapp processes in doped two-leg fermionic ladders. These may emerge either at special band fillings or as a result of the presence of external periodic potentials. We show that such Umklapp processes can lead to profound
changes of physical properties and in particular stabilize pair-density wave phases.
We present a method for investigating the steady-state transport properties of one-dimensional correlated quantum systems. Using a procedure based on our analysis of finite-size effects in a related classical model (LC line) we show that stationary c
urrents can be obtained from transient currents in finite systems driven out of equilibrium. The non-equilibrium dynamics of correlated quantum systems is calculated using the time-evolving block decimation method. To demonstrate our method we determine the full I-V characteristic of the spinless fermion model with nearest-neighbour hopping t_H and interaction V_H using two different setups to generate currents (turning on/off a potential bias). Our numerical results agree with exact results for non-interacting fermions (V_H=0). For interacting fermions we find that in the linear regime eV << 4t_H the current I is independent from the setup and our numerical data agree with the predictions of the Luttinger liquid theory combined with the Bethe Ansatz solution. For larger potentials V the steady-state current depends on the current-generating setup and as V increases we find a negative differential conductance with one setup while the currents saturate at finite values in the other one. Both effects are due to finite renormalized bandwidths.
We calculate the charge and spin Drude weight of the one-dimensional extended Hubbard model with on-site repulsion $U$ and nearest-neighbor repulsion $V$ at quarter filling using the density-matrix renormalization group method combined with a variati
onal principle. Our numerical results for the Hubbard model (V=0) agree with exact results obtained from the Bethe ansatz solution. We obtain the contour map for both Drude weights in the $UV$-parameter space for repulsive interactions. We find that the charge Drude weight is discontinuous across the Kosterlitz-Thouless transition between the Luttinger liquid and the charge-density-wave insulator, while the spin Drude weight varies smoothly and remains finite in both phases. Our results can be generally understood using bosonization and renormalization group results. The finite-size scaling of the charge Drude weight is well fitted by a polynomial function of the inverse system size in the metallic region. In the insulating region we find an exponential decay of the finite-size corrections with the system size and a universal relation between the charge gap $Delta_c$ and the correlation length $xi$ which controls this exponential decay.
We study current-current correlations in the three-band Hubbard model for two-leg CuO ladders using the density-matrix renormalization group method. We find that these correlations decrease exponentially with distance for low doping but as a power la
w for higher doping. Their pattern is compatible with the circulating current (CC) phase which Varma has proposed to explain the pseudo-gaped metallic phase in underdoped high-temperature superconductors. However, for model parameters leading to a realistic ground state in the undoped ladder, the current fluctuations decay faster than the d-wave-like pairing correlations in the doped state. Thus we conclude that no phase with CC order or dominant CC fluctuations occur in the three-band model of two-leg CuO ladders.
We investigate the dynamical spin and charge structure factors and the one-particle spectral function of the one-dimensional extended Hubbard model at half band-filling using the dynamical density-matrix renormalization group method. The influence of
the model parameters on these frequency- and momentum-resolved dynamical correlation functions is discussed in detail for the Mott-insulating regime. We find quantitative agreement between our numerical results and experiments for the optical conductivity, resonant inelastic X-ray scattering, neutron scattering, and angle-resolved photoemission spectroscopy in the quasi-one-dimensional Mott insulator SrCuO$_2$.
We investigate the formation of stripes in $7chunks times 6$ Hubbard ladders with $4chunks$ holes doped away from half filling using the density-matrix renormalization group (DMRG) method. A parallelized code allows us to keep enough density-matrix
eigenstates (up to $m=8000$) and to study sufficiently large systems (with up to $7chunks = 21$ rungs) to extrapolate the stripe amplitude to the limits of vanishing DMRG truncation error and infinitely long ladders. Our work gives strong evidence that stripes exist in the ground state for strong coupling ($U=12t$) but that the structures found in the hole density at weaker coupling ($U=3t$) are an artifact of the DMRG approach.
The density-matrix renormalization group (DMRG) is employed to calculate optical properties of the half-filled Hubbard model with nearest-neighbor interactions. In order to model the optical excitations of oligoenes, a Peierls dimerization is include
d whose strength for the single bonds may fluctuate. Systems with up to 100 electrons are investigated, their wave functions are analyzed, and relevant length-scales for the low-lying optical excitations are identified. The presented approach provides a concise picture for the size dependence of the optical absorption in oligoenes.
Using density matrix renormalization group calculations, we compare results obtained for the t-J, one-band Hubbard and three-band Hubbard models of a two-leg CuO ladder. Spin and charge gaps, pair binding energies, and effective pair hoppings are cal
culated for a wide range of parameters. All three models have an insulating state at a filling corresponding to one hole per Cu site. For physically relevant parameters their spin gaps are similar in size but they exhibit quite different charge gaps. We find that the binding energy of a pair of doped holes is of the order of the undoped ladder spin gap for all three models. The main difference between the models is the size of the effective pair hopping, which is significantly larger in the three-band model with parameters appropriate for CuO materials than in the other two models.
