Current-Driven Conformational Changes, Charging and Negative Differential Resistance in Molecular Wires

Details Current-Driven Conformational Changes, Charging and Negative Differential Resistance in Molecular Wires Current-Driven Conformational Changes, Charging and Negative Differential Resistance in Molecular Wires

2001-07-06

arxiv.org/abs/cond-mat/0107147v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

9 pages, 4 figures

Scientific paper

10.1103/PhysRevB.64.125318

We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to molecular wires consisting of chain molecules with different electronic and structural properties bonded to metal contacts. We show that non-linear transport in all of these systems can be understood in terms of a single physical mechanism and predict that negative differential resistance at high bias should be a generic property of such molecular wires.

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