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

Garcia-Suarez, V. M. and Lambert, Colin (2008) Non-trivial length dependence of the conductance and negative differential resistance in atomic molecular wires. Nanotechnology, 19 (45). -. ISSN 0957-4484

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Abstract

We 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 lowest unoccupied molecular orbital (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.

Item Type:
Journal Article
Journal or Publication Title:
Nanotechnology
Uncontrolled Keywords:
/dk/atira/pure/researchoutput/libraryofcongress/qc
Subjects:
ID Code:
57888
Deposited By:
Deposited On:
29 Aug 2012 08:10
Refereed?:
Yes
Published?:
Published
Last Modified:
13 May 2020 01:56