Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2010-01-27
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
9 pages, 10 figures. to appear in New J. Phys
Scientific paper
Understanding of charge transport mechanisms in nanoscale structures is essential for the development of molecular electronic devices. Charge transport through 1D molecular systems connected between two contacts is influenced by several parameters such as the electronic structure of the molecule and the presence of disorder and defects. In this work, we have modeled 1D molecular wires connected between electrodes and systematically investigated the influence of both soliton formation and the presence of defects on properties such as the conductance and the density of states. Our numerical calculations have shown that the transport properties are highly sensitive to the position of both solitons and defects. Interestingly, the introduction of a single defect in the molecular wire which divides it into two fragments both consisting of an odd number of sites creates a new conduction channel in the center of the band gap resulting in higher zero-bias conductance than for defect free systems. This phenomenon suggests alternative routes toward engineering molecular wires with enhanced conductance.
Cuniberti Gianaurelio
Nozaki Daijiro
Pastawski Horacio Miguel
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