Heating in current carrying molecular junctions

Details Heating in current carrying molecular junctions Heating in current carrying molecular junctions

2002-06-30

arxiv.org/abs/cond-mat/0207015v1

Physics

Condensed Matter

29 pages, 16 figures. J. Chem. Phys., in press

Scientific paper

10.1063/1.1495845

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.

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