Modeling elastic and photoassisted transport in organic molecular wires: length dependence and current-voltage characteristics

Abstract

Using a pi-orbital tight-binding model, we study the elastic and photoassisted transport properties of metal-molecule-metal junctions based on oligophenylenes of varying lengths. The effect of monochromatic light is modeled with an ac voltage over the contact. We first show how the low-bias transmission function can be obtained analytically, using methods previously employed for simpler chain models. In particular, the decay coefficient of the off-resonant transmission is extracted by considering both a finite-length chain and infinitely extended polyphenylene. Based on these analytical results, we discuss the length-dependence of the linear-response conductance, the thermopower, and the light-induced enhancement of the conductance in the limit of weak intensity and low frequency. In general the conductance-enhancement is calculated numerically as a function of the light frequency. Finally, we compute the current-voltage characteristics at finite dc voltages, and show that in the low-voltage regime, the effect of low-frequency light is to induce current steps with a voltage separation determined by twice the frequency. These effects are more pronounced for longer molecules. We study two different profiles for the dc and ac voltages, and it is found that the results are robust with respect to such variations. Although we concentrate here on the specific model of oligophenylenes, the results should be qualitatively similar for many other organic molecules with a large enough electronic gap.

15 pages, 11 figures, minor corrections to old version

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Cited by in corpus (6)

• Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives
• Cluster-based density-functional approach to quantum transport through molecular and atomic contacts
• Mechanical Tuning of Conductance and Thermopower in Helicene Molecular Junctions
• Ab-initio study of the thermopower of biphenyl-based single-molecule junctions
• Light-induced current in molecular junctions: Local field and non-Markov effects
• Molecular nanoplasmonics: self-consistent electrodynamics in current carrying junctions