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...
| Main Authors: | , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2012
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/94605 http://hdl.handle.net/10220/7449 |
| _version_ | 1826115734828220416 |
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| author | Chen, Dongmeng Ye, Jun Zhang, Haijun Zhao, Yang |
| author2 | School of Materials Science & Engineering |
| author_facet | School of Materials Science & Engineering Chen, Dongmeng Ye, Jun Zhang, Haijun Zhao, Yang |
| author_sort | Chen, Dongmeng |
| collection | NTU |
| 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. |
| first_indexed | 2024-10-01T04:00:01Z |
| format | Journal Article |
| id | ntu-10356/94605 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T04:00:01Z |
| publishDate | 2012 |
| record_format | dspace |
| spelling | ntu-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 |
| 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 |
| title | 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_short | 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 |
| topic | DRNTU::Science::Physics::Atomic physics::Solid state physics |
| url | https://hdl.handle.net/10356/94605 http://hdl.handle.net/10220/7449 |
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