Literature DB >> 21291259

On the Munn-Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations.

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


  3 in total

1.  Fluorination of metal phthalocyanines: single-crystal growth, efficient N-channel organic field-effect transistors, and structure-property relationships.

Authors:  Hui Jiang; Jun Ye; Peng Hu; Fengxia Wei; Kezhao Du; Ning Wang; Te Ba; Shuanglong Feng; Christian Kloc
Journal:  Sci Rep       Date:  2014-12-19       Impact factor: 4.379

2.  Read between the Molecules: Computational Insights into Organic Semiconductors.

Authors:  Ganna Gryn'ova; Kun-Han Lin; Clémence Corminboeuf
Journal:  J Am Chem Soc       Date:  2018-11-19       Impact factor: 15.419

3.  Competition between diagonal and off-diagonal coupling gives rise to charge-transfer states in polymeric solar cells.

Authors:  Yao Yao; Nengji Zhou; Javier Prior; Yang Zhao
Journal:  Sci Rep       Date:  2015-09-28       Impact factor: 4.379

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.