| Literature DB >> 21291259 |
Dongmeng Chen1, Jun Ye, Haijun Zhang, Yang Zhao.
Abstract
Improved results using a method similar to the Munn-Silbey approach have been obtained on the temperature dependence of transport properties of an extended Holstein model incorporating simultaneous diagonal and off-diagonal exciton-phonon coupling. The Hamiltonian is partially diagonalized by a canonical transformation, and optimal transformation coefficients are determined in a self-consistent manner. Calculated transport properties exhibit substantial corrections on those obtained previously by Munn and Silbey for a wide range of temperatures thanks to a numerically exact evaluation and an added momentum-dependence of the transformation matrix. Results on the diffusion coefficient in the moderate and weak coupling regime show distinct band-like and hopping-like transport features as a function of temperature.Year: 2011 PMID: 21291259 DOI: 10.1021/jp1093492
Source DB: PubMed Journal: J Phys Chem B ISSN: 1520-5207 Impact factor: 2.991