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

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

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 cano...

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Main Authors: Chen, Dongmeng, Ye, Jun, Zhang, Haijun, Zhao, Yang
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2012
Subjects:
DRNTU::Science::Physics::Atomic physics::Solid state physics
Online Access:https://hdl.handle.net/10356/94605
http://hdl.handle.net/10220/7449
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-946052023-07-14T15:45:24Z On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations Chen, Dongmeng Ye, Jun Zhang, Haijun Zhao, Yang School of Materials Science & Engineering DRNTU::Science::Physics::Atomic physics::Solid state physics 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. Accepted version 2012-01-06T04:39:56Z 2019-12-06T18:59:06Z 2012-01-06T04:39:56Z 2019-12-06T18:59:06Z 2011 2011 Journal Article Chen, D., Ye, J., Zhang, H., & Zhao, Y. (2011). On the Munn-Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations, The Journal of Physical Chemistry B, 115(18), 5312-5321. https://hdl.handle.net/10356/94605 http://hdl.handle.net/10220/7449 10.1021/jp1093492 en The journal of physical chemistry B © 2011 American Chemical Society. This is the author created version of a work that has been peer reviewed and accepted for publication by The Journal of Physical Chemistry B, American Chemical Society. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: http://dx.doi.org/10.1021/jp1093492. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic DRNTU::Science::Physics::Atomic physics::Solid state physics
spellingShingle DRNTU::Science::Physics::Atomic physics::Solid state physics
Chen, Dongmeng
Ye, Jun
Zhang, Haijun
Zhao, Yang
On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
description 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.
author2 School of Materials Science & Engineering
author_facet School of Materials Science & Engineering
Chen, Dongmeng
Ye, Jun
Zhang, Haijun
Zhao, Yang
format Article
author Chen, Dongmeng
Ye, Jun
Zhang, Haijun
Zhao, Yang
author_sort Chen, Dongmeng
title On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
title_short On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
title_full On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
title_fullStr On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
title_full_unstemmed On the Munn−Silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
title_sort on the munn−silbey approach to polaron transport with off-diagonal coupling and temperature-dependent canonical transformations
publishDate 2012
url https://hdl.handle.net/10356/94605
http://hdl.handle.net/10220/7449
_version_ 1772826174791090176

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