Spectral properties of the 2D Holstein polaron

The two-dimensional Holstein model is studied by means of direct Lanczos diagonalization preserving the full dynamics and quantum nature of phonons. We present numerical exact results for the single-particle spectral function, the polaronic quasiparticle weight, and the optical conductivity. The polaron band dispersion is derived both from exact diagonalization of small lattices and analytic calculation of the polaron self-energy.Comment: 8 pages, revtex, 6 figure

Spectral properties of the 2D Holstein t-J model

Employing the Lanczos algorithm in combination with a kernel polynomial moment expansion (KPM) and the maximum entropy method (MEM), we show a way of calculating charge and spin excitations in the Holstein t-J model, including the full quantum nature of phonons. To analyze polaron band formation we evaluate the hole spectral function for a wide range of electron-phonon coupling strengths. For the first time, we present results for the optical conductivity of the 2D Holstein t-J model.Comment: 2 pages, Latex. Submitted to Physica C, Proc. Int. Conf. on M2HTSC

Parallelization Strategies for Density Matrix Renormalization Group Algorithms on Shared-Memory Systems

Shared-memory parallelization (SMP) strategies for density matrix renormalization group (DMRG) algorithms enable the treatment of complex systems in solid state physics. We present two different approaches by which parallelization of the standard DMRG algorithm can be accomplished in an efficient way. The methods are illustrated with DMRG calculations of the two-dimensional Hubbard model and the one-dimensional Holstein-Hubbard model on contemporary SMP architectures. The parallelized code shows good scalability up to at least eight processors and allows us to solve problems which exceed the capability of sequential DMRG calculations.Comment: 18 pages, 9 figure

On the stability of polaronic superlattices in strongly coupled electron-phonon systems

We investigate the interplay of electron-phonon (EP) coupling and strong electronic correlations in the frame of the two-dimensional (2D) Holstein t-J model (HtJM), focusing on polaronic ordering phenomena for the quarter-filled band case. The use of direct Lanczos diagonalization on finite lattices allows us to include the effects of quantum phonon fluctuations in the calculation of spin/charge structure factors and hole-phonon correlation functions. In the adiabatic strong coupling regime we found evidence for ``self-localization'' of polaronic carriers in a $(\pi,\pi)$ charge-modulated structure, a type of superlattice solidification reminiscent of those observed in the nickel perovskites $La_{2-x}Sr_{x}NiO_{4+y}$.Comment: 2 pages, Latex. Submitted to Physica C, Proc. Int. Conf. on M2HTSC

Polaronic effects in strongly coupled electron-phonon systems: Exact diagonalization results for the 2D Holstein t-J model

Ground-state and dynamical properties of the 2D Holstein t-J model are examined by means of direct Lanczos diagonalization, using a truncation method of the phononic Hilbert space. The single-hole spectral function shows the formation of a narrow hole-polaron band as the electron-phonon coupling increases, where the polaronic band collapse is favoured by strong Coulomb correlations. In the two-hole sector, the hole-hole correlations unambiguously indicate the existence of inter-site bipolaronic states. At quarter-filling, a polaronic superlattice is formed in the adiabatic strong-coupling regime.Comment: 3 pages, LaTeX, 6 Postscript figures, Proc. Int. Conf. on Strongly Correlated Electron Systems, Zuerich, August 1996, accepted for publication in Physica

Nature of the Peierls- to Mott-insulator transition in 1D

In order to clarify the physics of the crossover from a Peierls band insulator to a correlated Mott-Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein-Hubbard model using quasi-exact numerical techniques. In the adiabatic limit the transition is connected to the band to Mott insulator transition of the ionic Hubbard model. Depending on the strengths of the electron-phonon coupling and the Hubbard interaction the transition is either first order or evolves continuously across an intermediate phase with finite spin, charge, and optical excitation gaps.Comment: 6 pages, 7 figures to appear in EPJ