Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Non-trivial length dependence of the conductance and negative differential resistance in atomic molecular wires
AU - Garcia-Suarez, V. M.
AU - Lambert, Colin
PY - 2008/11/12
Y1 - 2008/11/12
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=58149235151&partnerID=8YFLogxK
U2 - 10.1088/0957-4484/19/45/455203
DO - 10.1088/0957-4484/19/45/455203
M3 - Journal article
VL - 19
SP - -
JO - Nanotechnology
JF - Nanotechnology
SN - 0957-4484
IS - 45
M1 - 455203
ER -