A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport
We propose a nonequilibrium variational polaron transformation, based on an ansatz for nonequilibrium steady state with an effective temperature, to study quantum heat transport at the nanoscale. By combining the variational polaron transformed master equation with the full counting statistics, we e...
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| Format: | Article |
| Language: | English |
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American Chemical Society (ACS)
2020
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| Online Access: | https://hdl.handle.net/1721.1/126058 |
| _version_ | 1826214266569490432 |
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| author | Hsieh, Chang Yu Cao, Jianshu |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Hsieh, Chang Yu Cao, Jianshu |
| author_sort | Hsieh, Chang Yu |
| collection | MIT |
| description | We propose a nonequilibrium variational polaron transformation, based on an ansatz for nonequilibrium steady state with an effective temperature, to study quantum heat transport at the nanoscale. By combining the variational polaron transformed master equation with the full counting statistics, we extended the applicability of the polaron-based framework to study nonequilibrium process beyond the super-Ohmic bath models. Previously, the polaron-based framework for quantum heat transport reduces exactly to the non-interacting blip approximation (NIBA) formalism for Ohmic bath models due to the issue of the infrared divergence associated with the full polaron transformation. The nonequilibrium variational method allows us to appropriately treat the infrared divergence in the low-frequency bath modes and explicitly include cross-bath correlation effects. These improvements provide more accurate calculation of heat current than the NIBA formalism for Ohmic bath models. We illustrate the aforementioned improvements with the nonequilibrium spin-boson model in this work and quantitatively demonstrate the cross-bath correlation, current turnover, and rectification effects in quantum heat transfer. |
| first_indexed | 2024-09-23T16:02:25Z |
| format | Article |
| id | mit-1721.1/126058 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T16:02:25Z |
| publishDate | 2020 |
| publisher | American Chemical Society (ACS) |
| record_format | dspace |
| spelling | mit-1721.1/1260582022-10-02T05:56:10Z A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport Hsieh, Chang Yu Cao, Jianshu Massachusetts Institute of Technology. Department of Chemistry We propose a nonequilibrium variational polaron transformation, based on an ansatz for nonequilibrium steady state with an effective temperature, to study quantum heat transport at the nanoscale. By combining the variational polaron transformed master equation with the full counting statistics, we extended the applicability of the polaron-based framework to study nonequilibrium process beyond the super-Ohmic bath models. Previously, the polaron-based framework for quantum heat transport reduces exactly to the non-interacting blip approximation (NIBA) formalism for Ohmic bath models due to the issue of the infrared divergence associated with the full polaron transformation. The nonequilibrium variational method allows us to appropriately treat the infrared divergence in the low-frequency bath modes and explicitly include cross-bath correlation effects. These improvements provide more accurate calculation of heat current than the NIBA formalism for Ohmic bath models. We illustrate the aforementioned improvements with the nonequilibrium spin-boson model in this work and quantitatively demonstrate the cross-bath correlation, current turnover, and rectification effects in quantum heat transfer. National Science Foundation (U.S.) (Grant CHE 1836913) National Science Foundation (U.S.) (Grant CHE 1800301) 2020-07-07T13:12:39Z 2020-07-07T13:12:39Z 2019-06 2019-12-13T18:39:26Z Article http://purl.org/eprint/type/JournalArticle 1932-7447 https://hdl.handle.net/1721.1/126058 Hsieh, Chang Yu et al. “A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport.” Journal of physical chemistry. C, vol. 123, no. 28, 2019, pp. 17196-17204 © 2019 The Author(s) en 10.1021/ACS.JPCC.9B05607 Journal of physical chemistry. C Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Chemical Society (ACS) Other repository |
| spellingShingle | Hsieh, Chang Yu Cao, Jianshu A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport |
| title | A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport |
| title_full | A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport |
| title_fullStr | A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport |
| title_full_unstemmed | A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport |
| title_short | A Nonequilibrium Variational Polaron Theory to Study Quantum Heat Transport |
| title_sort | nonequilibrium variational polaron theory to study quantum heat transport |
| url | https://hdl.handle.net/1721.1/126058 |
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