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Heating in current carrying molecular junctions

J. Chem. Phys. 117, 3915 (2002); doi:10.1063/1.1495845

Issue Date: 22 August 2002

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Dvira Segal and Abraham Nitzan
School of Chemistry, The Sackler Faculty of Science, Tel Aviv University, Tel Aviv, 69978, Israel
A framework for estimating heating and expected temperature rise in current carrying molecular junctions is described. Our approach is based on applying the Redfield approximation to a tight binding model for the molecular bridge supplemented by coupling to a phonon bath. This model, used previously to study thermal relaxation effects on electron transfer and conduction in molecular junctions, is extended and used to evaluate the fraction of available energy, i.e., of the potential drop, that is released as heat on the molecular bridge. Classical heat conduction theory is then applied to estimate the expected temperature rise. For a reasonable choice of molecular parameters and for junctions carrying currents in the nA range, we find the temperature rise to be a modest few degrees. It is argued, however, that using classical theory to describe heat transport away from the junction may underestimate the heating effect. ©2002 American Institute of Physics.
History: Received 13 November 2001; accepted 31 May 2002
Permalink: http://link.aip.org/link/?JCPSA6/117/3915/1
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KEYWORDS and PACS

Keywords
PACS
  • 73.23.-b
    Electronic structure and electrical properties of surfaces, interfaces, thin films, and low-dimensional structures Electronic transport in mesoscopic systems
  • 85.65.+h
    Electronic and magnetic devices; microelectronics Molecular electronic devices
  • 85.35.-p
    Electronic and magnetic devices; microelectronics Nanoelectronic devices
  • YEAR: 2002

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (40)
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