Local-field effects in current transport through molecular electronic devices: Current density profiles and local non-equilibrium electron distributions

Details Local-field effects in current transport through molecular electronic devices: Current density profiles and local non-equilibrium electron distributions Local-field effects in current transport through molecular electronic devices: Current density profiles and local non-equilibrium electron distributions

2004-05-20

arxiv.org/abs/cond-mat/0405483v1

Phys. Rev. B 70, 081404(R) (2004)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Submitted to Phys.Rev.B. Color figures are available in the online PRB version or upon request to: ayxue@chem.northwestern.edu

Scientific paper

10.1103/PhysRevB.70.081404

We analyze non-equilibrium current transport in molecular electronic devices, using as an example devices formed by two terphenyl dithiol molecules attached to gold electrodes. Using a first-principles based self-consistent matrix Green's function method, we show that the spatially resolved current density profiles and local electrochemical potential drops provide valuable information regarding the local field effect on molecular transport, which depend on the internal structure of the molecules and cannot be obtained from measuring the current- and conductance-voltage characteristics alone.

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