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arXiv:cond-mat/9610129 · Annals of Physics

Improved Transport Equations Including Correlations for Electron–Phonon Systems: Comparison with Exact Solutions in One Dimension

J. Fricke, V. Meden, C. Wöhler, Kurt Schönhammer

Published Jan 1, 1997• 50 citations
arXivHTMLPDF
DOI
10.1006/aphy.1997.5623

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We present a one-dimensional microscopic model of interacting electrons coupled to phonons that allows the exact calculation of the time evolution of the momentum distribution functions starting from a nonequilibrium initial state. The model shows relaxation features known from approximate calculations for more realistic three-dimensional models. The exact results are compared with approximate ones resulting from the use of quantum kinetic equations which avoid the assumption of completed successive scattering processes implicit in simple Boltzmann equations. To renormalize the electronic but not the phonon propagation in the non-Markovian equations yields no improvement uniform in time compared to simpler approximations. Due to the presence of the Fermi sea only the additional renormalization of the phonon propagation leads to a drastic improvement in comparison with the exact results.
The Holstein model is a benchmark model of systems with electron-phonon interaction. However, its electrical transport properties are not yet fully understood. In this work, we performed numerically exact calculations of the imaginary-time current-current correlation function of the Holstein Hamiltonian for a broad range of model parameters. These calculations were performed using a path-integral-based quantum Monte Carlo method. We compared these results with the results obtained under the assumption of conventional band transport, small polaron hopping, and polaron band transport. From this comparison, we identified the regions in parameter space where each of these transport regimes is valid. In some cases when an imaginary-time comparison of current-current correlation functions could not give conclusive results, we complemented it with real-time comparisons or a comparison with the literature data on numerically exact dc mobilities. Overall, we found that the parameter space is almost completely covered by the three mentioned transport regimes.