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Article: Application of hierarchical equations of motion (HEOM) to time dependent quantum transport at zero and finite temperatures

TitleApplication of hierarchical equations of motion (HEOM) to time dependent quantum transport at zero and finite temperatures
Authors
Issue Date2013
PublisherSpringer.
Citation
European Physical Journal B, 2013, v. 86, p. 411 How to Cite?
AbstractGoing beyond the limitations of our earlier works [X. Zheng, F. Wang, C.Y. Yam, Y. Mo, G.H. Chen, Phys. Rev. B 75, 195127 (2007); X. Zheng, G.H. Chen, Y. Mo, S.K. Koo, H. Tian, C.Y. Yam, Y.J. Yan, J. Chem. Phys. 133, 114101 (2010)], we propose, in this manuscript, a new alternative approach to simulate time-dependent quantum transport phenomenon from first-principles. This new practical approach, still retaining the formal exactness of HEOM framework, does not rely on any intractable parametrization scheme and the pole structure of Fermi distribution function, thus, can seamlessly incorporated into first-principles simulation and treat transient response of an open electronic systems to an external bias voltage at both zero and finite temperatures on the equal footing. The salient feature of this approach is surveyed, and its time complexity is analysed. As a proof-of-principle of this approach, simulation of the transient current of one dimensional tight-binding chain, driven by some direct external voltages, is demonstrated.
Persistent Identifierhttp://hdl.handle.net/10722/200477
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorTian, Hen_US
dc.contributor.authorChen, Gen_US
dc.date.accessioned2014-08-21T06:48:35Z-
dc.date.available2014-08-21T06:48:35Z-
dc.date.issued2013en_US
dc.identifier.citationEuropean Physical Journal B, 2013, v. 86, p. 411en_US
dc.identifier.urihttp://hdl.handle.net/10722/200477-
dc.description.abstractGoing beyond the limitations of our earlier works [X. Zheng, F. Wang, C.Y. Yam, Y. Mo, G.H. Chen, Phys. Rev. B 75, 195127 (2007); X. Zheng, G.H. Chen, Y. Mo, S.K. Koo, H. Tian, C.Y. Yam, Y.J. Yan, J. Chem. Phys. 133, 114101 (2010)], we propose, in this manuscript, a new alternative approach to simulate time-dependent quantum transport phenomenon from first-principles. This new practical approach, still retaining the formal exactness of HEOM framework, does not rely on any intractable parametrization scheme and the pole structure of Fermi distribution function, thus, can seamlessly incorporated into first-principles simulation and treat transient response of an open electronic systems to an external bias voltage at both zero and finite temperatures on the equal footing. The salient feature of this approach is surveyed, and its time complexity is analysed. As a proof-of-principle of this approach, simulation of the transient current of one dimensional tight-binding chain, driven by some direct external voltages, is demonstrated.en_US
dc.languageengen_US
dc.publisherSpringer.en_US
dc.relation.ispartofEuropean Physical Journal Ben_US
dc.rightsThe original publication is available at www.springerlink.comen_US
dc.titleApplication of hierarchical equations of motion (HEOM) to time dependent quantum transport at zero and finite temperaturesen_US
dc.typeArticleen_US
dc.identifier.emailTian, H: htlzsc@hku.hken_US
dc.identifier.emailChen, G: ghc@yangtze.hku.hken_US
dc.identifier.authorityChen, G=rp00671en_US
dc.identifier.doi10.1140/epjb/e2013-40333-7en_US
dc.identifier.hkuros232566en_US
dc.identifier.volume86en_US
dc.identifier.spage411en_US
dc.identifier.epage411en_US
dc.identifier.isiWOS:000325020200002-
dc.publisher.placeBerlin Heidelbergen_US

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