Heat dissipation and its relation to thermopower in single-molecule junctions
Entity
UAM. Departamento de Física de la Materia CondensadaPublisher
Institute of Physics Publishing (IOP)Date
2014-01-02Citation
10.1088/1367-2630/16/1/015004
New Journal of Physics 16 (2014): 015004
ISSN
1367-2630 (print)DOI
10.1088/1367-2630/16/1/015004Funded by
LAZ acknowledges financial support from the Spanish MICINN through grant no. FIS2010- 21883. This work was partly supported by a FY2012 (P12501) Postdoctoral Fellowship for Foreign Researchers from the Japan Society for Promotion of Science (JSPS) and by a JSPS KAKENHI, i.e. ‘Grant-in-Aid for JSPS Fellows’, grant no. 24•02501. FP gratefully acknowledges funding through the Carl Zeiss Foundation and the Baden-Württemberg Foundation. PR acknowledges support from DOE-BES through a grant from the Scanning Probe Microscopy Division under award no. DE-SC0004871 and support from the NSF under award no. CBET 0844902 and DOE-BES as part of an EFRC at the University of Michigan under award no. DE-SC0000957Editor's Version
http://dx.doi.org/10.1088/1367-2630/16/1/015004Subjects
heat; single-molecule junctions; FísicaRights
© 2014 IOP Publishing and Deutsche Physikalische GesellschaftAbstract
Motivated by recent experiments, we present here a detailed theoretical analysis of the joule heating in current-carrying single-molecule junctions. By combining the Landauer approach for quantum transport with ab initio calculations, we show how the heating in the electrodes of a molecular junction is determined by its electronic structure. In particular, we show that in general heat is not equally dissipated in both electrodes of the junction and it depends on the bias polarity (or equivalently on the current direction). These heating asymmetries are intimately related to the thermopower of the junction as both these quantities are governed by very similar principles. We illustrate these ideas by analyzing single-molecule junctions based on benzene derivatives with different anchoring groups. The close relation between heat dissipation and thermopower provides general strategies for exploring fundamental phenomena such as the Peltier effect or the impact of quantum interference effects on the joule heating of molecular transport junctions
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Google Scholar:Zotti, Linda Ángela
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Bürkle, Marius
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Pauly, Fabian
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Lee, Woochul
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Kim, Kyeongtae
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Jeong, Wonho
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Asai, Yoshihiro
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Reddy, Pramod
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Cuevas Rodríguez, Juan Carlos
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