Quantum transport of Au-S-S-Au nanoscale junctions
Citation:
Jing-Xin Yu, Xiang-Rong Chen, Stefano Sanvito, and Yan Cheng, Quantum transport of Au-S-S-Au nanoscale junctions, Applied Physics Letters, 100, 1, 2012, 4Download Item:
Quantum transport of Au-S-S-Au nanoscale junctions.pdf (Published (publisher's copy) - Peer Reviewed) 967.8Kb
Abstract:
Transport in S2 molecules sandwiched between Au electrodes is investigated with a combination of density functional theory and the non-equilibrium Green?s function method. We consider four different configurations and find that their conductances are related to the details of the bonding geometry. When S2 connects to pyramidal-shaped electrodes at the top site, the transmission is governed by a resonance and is strongly affected by the bias. In contrast, the transport of the remaining three configurations is through several closely spaced broad molecular orbitals, and the transmission coefficient is almost flat around the Fermi level.
Sponsor
Grant Number
Science Foundation Ireland (SFI)
07/IN.1/I945
Author's Homepage:
http://people.tcd.ie/sanvitosDescription:
PUBLISHED
Author: SANVITO, STEFANO
Type of material:
Journal ArticleCollections:
Series/Report no:
Applied Physics Letters100
1
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Nanoscience & MaterialsLicences: