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arXiv · 0912.4147

Quantum Transport through Organic Molecules

Santanu K. Maiti
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Abstract

We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's function formalism. An analytic approach, based on a simple tight-binding framework, is presented to describe electron transport through the molecular wires. Electronic transport in such molecular systems is strongly affected by the geometry of the molecules as well as their coupling to the side-attached electrodes. Conductance reveals resonant peaks associated with the molecular energy eigenstates providing several complex spectra. Current passing through the molecules shows staircase-like behavior with sharp steps in the weak molecule-to-electrode coupling limit, while it varies quite continuously with the applied bias voltage in the limit of strong molecular coupling. In the presence of transverse magnetic field, conductance exhibits oscillatory behavior with flux $ϕ$, threaded by the molecular ring, showing $ϕ_0$ ($=ch/e$) flux-quantum periodicity. Though, conductance changes in the presence of transverse magnetic field, but the current-voltage characteristics are not significantly affected by this field.

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Santanu K. Maiti. 2009-12-24. Quantum Transport through Organic Molecules. https://doi.org/10.1016/j.chemphys.2006.10.013

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