A new approach to the realization and control of negative differential resistance in single-molecule nanoelectronic devices: designer transition metal-thiol interface States.

Dalgleish, Hugh; Kirczenow, George · Nano Lett · 2006

basic_science · Level V

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Abstract

On the basis of ab initio and semiempirical calculations, we predict single alkane dithiolate molecules bridging transition metal nanoelectrodes (including Pd/Rh, Pt/Rh, and Pt/Pt) to exhibit negative differential resistance (NDR). The mechanism is resonant conduction via interface states arising from hybridization between molecular thiol groups and transition metal d orbitals. We show how the NDR realized in this new way can be controlled by tailoring interface state properties through appropriate choice of nanoelectrode transition metals and surface structures.

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