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dc.contributor.authorNozaki, Daijiro
dc.contributor.authorAvdoshenko, Stanislav M.
dc.contributor.authorSevinçli, Haldun
dc.contributor.authorCuniberti, Gianaurelio
dc.date.accessioned2017-04-27T06:47:14Z
dc.date.available2017-04-27T06:47:14Z
dc.date.issued2014-08
dc.identifier.citationNozaki, D., Avdoshenko, S.M., Sevinçli, H., and Cuniberti, G. (2014). Quantum interference in thermoelectric molecular junctions: A toy model perspective. Journal of Applied Physics, 116(7). doi:10.1063/1.4893475en_US
dc.identifier.issn0021-8979
dc.identifier.urihttps://doi.org/10.1063/1.4893475
dc.identifier.urihttp://hdl.handle.net/11147/5415
dc.description.abstractQuantum interference (QI) phenomena between electronic states in molecular circuits offer a new opportunity to design new types of molecular devices such as molecular sensors, interferometers, and thermoelectric devices. Controlling the QI effect is a key challenge for such applications. For the development of single molecular devices employing QI effects, a systematic study of the relationship between electronic structure and the quantum interference is needed. In order to uncover the essential topological requirements for the appearance of QI effects and the relationship between the QI-affected line shape of the transmission spectra and the electronic structures, we consider a homogeneous toy model where all on-site energies are identical and model four types of molecular junctions due to their topological connectivities. We systematically analyze their transmission spectra, density of states, and thermoelectric properties. Even without the degree of freedom for on-site energies an asymmetric Fano peak could be realized in the homogeneous systems with the cyclic configuration. We also calculate the thermoelectric properties of the model systems with and without fluctuation of on-site energies. Even under the fluctuation of the on-site energies, the finite thermoelectrics are preserved for the Fano resonance, thus cyclic configuration is promising for thermoelectric applications. This result also suggests the possibility to detect the cyclic configuration in the homogeneous systems and the presence of the QI features from thermoelectric measurements.en_US
dc.description.sponsorshipEuropean project Synaptic Molecular Networks for Bioinspired Information Processing (SYMONE) (318597); German Research Foundation (DFG); European Union; The Science Academy, Turkey; TUBITAK-BIDEB (113C032); TUBITAK-ULAKBIM High Performance and Grid Computing Center (TRUBA Resources); EU (318516)en_US
dc.language.isoengen_US
dc.publisherAmerican Institute of Physics Publisingen_US
dc.relationinfo:eu-repo/grantAgreement/TUBITAK/BIDEB/113C032en_US
dc.relation.isversionof10.1063/1.4893475en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectElectronic structureen_US
dc.subjectQuantum interference devicesen_US
dc.subjectResonanceen_US
dc.subjectThermoelectric equipmenten_US
dc.subjectThermoelectricityen_US
dc.subjectTopologyen_US
dc.titleQuantum interference in thermoelectric molecular junctions: A toy model perspectiveen_US
dc.typearticleen_US
dc.contributor.authorIDTR21371en_US
dc.contributor.institutionauthorSevinçli, Haldun
dc.relation.journalJournal of Applied Physicsen_US
dc.contributor.departmentIzmir Institute of Technology. Materials Science and Engineeringen_US
dc.identifier.volume116en_US
dc.identifier.issue7en_US
dc.identifier.wosWOS:000341189400049
dc.identifier.scopusSCOPUS:2-s2.0-84906569351
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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