Non-trivial length dependence of the conductance and negative differential resistance in atomic molecular wires

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dc.creatorGarcía-Suárez, V. M.
dc.creatorLambert, C. J.
dc.date2008-08-11
dc.date2008-08-18
dc.date.accessioned2026-07-07T10:09:21Z
dc.date.available2026-07-07T10:09:21Z
dc.descriptionWe study the electronic and transport properties of two novel molecular wires made of atomic chains of carbon atoms (polyynes) capped with either, benzene-thiols or pyridines. While both molecules are structurally similar, the electrical conductance of benzene-thiol-capped chains attached to gold electrodes is found to be much higher than that of pyridine-capped chains. We predict that the conductance is almost independent of molecular length, which suggests that these molecules could be ideal molecular wires for sub-10 nm circuitry. Both systems exhibit negative differential resistance (NDR) but its origin and characteristics depend on the type of molecule. We find a novel type of NDR mechanism produced by the movement of the LUMO resonance with bias. We also show that by gating the pyridine-capped molecules it is possible to make the NDR disappear and dramatically modify the $I$-$V$ characteristics and the length dependence.
dc.description4 figures
dc.identifierhttps://arxiv.org/abs/0808.1494
dc.identifierhttp://arxiv.org/abs/0808.1494
dc.identifierNanotechnology 19, 455203 (2008)
dc.identifierdoi:10.1088/0957-4484/19/45/455203
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/171292
dc.subjectMesoscale and Nanoscale Physics
dc.subjectMaterials Science
dc.titleNon-trivial length dependence of the conductance and negative differential resistance in atomic molecular wires
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