We explore the quasiparticle properties of lattice polarons on the basis of a quite general electron-phonon Hamiltonian with a long-range displacement-type interaction. To treat the dynamical quantum phonons without significant loss of accuracy we adapt an exact Lanczos diagonalization method and compute various static and dynamical quantities, such as the electron-lattice correlation function, the polaron band dispersion, the effective polaron mass, the kinetic energy, the single-particle spectral function, and the optical conductivity, on finite one-dimensional lattices for a wide range of model parameters. We compare the results with those obtained for the standard Holstein model with short-range electron-phonon interaction only.
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.
The cross over from low to high carrier densities in a many-polaron system is studied in the framework of the one-dimensional spinless Holstein model, using unbiased numerical methods. Combining a novel quantum Monte Carlo approach and exact diagonalization, accurate results for the singleparticle spectrum and the electronic kinetic energy on fairly large systems are obtained. A detailed investigation of the quality of the Monte Carlo data is presented. In the physically most important adiabatic intermediate electron-phonon coupling regime, for which no analytical results are available, we observe a dissociation of polarons with increasing band filling, leading to normal metallic behavior, while for parameters favoring small polarons, no such density-driven changes occur. The present work points towards the inadequacy of single-polaron theories for a number of polaronic materials such as the manganites.
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