The effect of asymmetrical electrode on the transport properties of molecular devices

By applying nonequilibrium Green's functions in combination with the density functional theory, we have investigated the electronic transport properties of molecular devices consisting of the carbon atomic chain coupling with symmetry and asymmetry Au electrodes. The asymmetry Au electrodes sys...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2013-02, Vol.411, p.131-135
Main Authors: Wu, X.Z., Xiao, J., Chen, L.N., Cao, C., Xu, H., Long, M.Q.
Format: Article
Language:English
Subjects:
Asymmetry
Asymmetry electrode
Condensed matter
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Coupling (molecular)
Devices
Electrodes
Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures
Electronics
Exact sciences and technology
Gold
Molecular device
Physics
Rectifying behavior
Surface double layers, schottky barriers, and work functions
Transport properties
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Summary:By applying nonequilibrium Green's functions in combination with the density functional theory, we have investigated the electronic transport properties of molecular devices consisting of the carbon atomic chain coupling with symmetry and asymmetry Au electrodes. The asymmetry Au electrodes systems display good rectifying behavior. The main origin of this phenomenon is that a molecular core coupling with asymmetry electrodes can generate two asymmetrical Schottky barriers at both extended molecule regions. This rectification is also explained by the calculated transmission spectrum and the spatial distribution of the LUMO and HOMO states.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2012.11.028