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dc.contributor.authorLee, Chee Kong
dc.contributor.authorMoix, Jeremy
dc.contributor.authorCao, Jianshu
dc.date.accessioned2017-07-07T18:35:06Z
dc.date.available2017-07-07T18:35:06Z
dc.date.issued2015-04
dc.date.submitted2014-12
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.urihttp://hdl.handle.net/1721.1/110554
dc.description.abstractQuantum transport in disordered systems is studied using a polaron-based master equation. The polaron approach is capable of bridging the results from the coherent band-like transport regime governed by the Redfield equation to incoherent hopping transport in the classical regime. A non-monotonic dependence of the diffusion coefficient is observed both as a function of temperature and system-phonon coupling strength. In the band-like transport regime, the diffusion coefficient is shown to be linearly proportional to the system-phonon coupling strength and vanishes at zero coupling due to Anderson localization. In the opposite classical hopping regime, we correctly recover the dynamics described by the Fermi’s Golden Rule and establish that the scaling of the diffusion coefficient depends on the phonon bath relaxation time. In both the hopping and band-like transport regimes, it is demonstrated that at low temperature, the zero-point fluctuations of the bath lead to non-zero transport rates and hence a finite diffusion constant. Application to rubrene and other organic semiconductor materials shows a good agreement with experimental mobility data.en_US
dc.description.sponsorshipNational Science Foundation (U.S.) (Grant CHE- 1112825)en_US
dc.description.sponsorshipUnited States. Defense Advanced Research Projects Agency (Grant N99001-10-1-4063)en_US
dc.description.sponsorshipSingapore. Ministry of Educationen_US
dc.description.sponsorshipSingapore. National Research Foundationen_US
dc.description.sponsorshipUnited States. Dept. of Energy. Center for Excitonics (Award DE-SC0001088)en_US
dc.language.isoen_US
dc.publisherAmerican Institute of Physics (AIP)en_US
dc.relation.isversionofhttp://dx.doi.org/10.1063/1.4918736en_US
dc.rightsArticle 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.en_US
dc.sourceMIT web domainen_US
dc.titleCoherent quantum transport in disordered systems: A unified polaron treatment of hopping and band-like transporten_US
dc.typeArticleen_US
dc.identifier.citationLee, Chee Kong, Jeremy Moix, and Jianshu Cao. “Coherent Quantum Transport in Disordered Systems: A Unified Polaron Treatment of Hopping and Band-like Transport.” The Journal of Chemical Physics 142.16 (2015): 164103.© 2015 AIP Publishing LLCen_US
dc.contributor.departmentMassachusetts Institute of Technology. Department of Chemistryen_US
dc.contributor.mitauthorLee, Chee Kong
dc.contributor.mitauthorMoix, Jeremy
dc.contributor.mitauthorCao, Jianshu
dc.relation.journalThe Journal of Chemical Physicsen_US
dc.eprint.versionFinal published versionen_US
dc.type.urihttp://purl.org/eprint/type/JournalArticleen_US
eprint.statushttp://purl.org/eprint/status/PeerRevieweden_US
dspace.orderedauthorsLee, Chee Kong; Moix, Jeremy; Cao, Jianshuen_US
dspace.embargo.termsNen_US
dc.identifier.orcidhttps://orcid.org/0000-0002-6246-7728
dc.identifier.orcidhttps://orcid.org/0000-0001-7616-7809
mit.licensePUBLISHER_POLICYen_US


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