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

Eldon Emberly·George Kirczenow
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Abstract

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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Eldon Emberly, George Kirczenow. 2001-07-06. Current-Driven Conformational Changes, Charging and Negative Differential Resistance in Molecular Wires. https://doi.org/10.1103/physrevb.64.125318

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