Identification of the transport regimes of the one-dimensional Holstein model
Suzana Miladić, Nenad Vukmirović
Published: 2025/9/1
Abstract
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 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 imaginary-time comparison of current-current correlation functions could not give conclusive results, we complemented them with real-time comparisons or the comparison with literature data on numerically exact dc mobilities. Overall, we found that the parameter space is almost completely covered by the three mentioned transport regimes.