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Current producing states in molecular semiconductors: photo-current from a molecular wire

Eric R. Bittner·Aijun Ye·Stoyan Karabunarliev
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Abstract

We present a methodology for computing photocurrent production in molecular semiconducting molecules. Our model combines a single-configuration interaction picture with the Schwinger-Keldysh non-equilibrium Greens function approach to compute the current response of a molecular semi-conducting wire following excitation. We give detailed analysis of the essential excitonic, charge-transfer, and dipole states for poly-(phenylenevinylene) chains of length 32 and 48 repeat units under an electric field bias and use this to develop a reduced dimensional tunneling model which accounts for chain-length and field-dependent behavior.

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Eric R. Bittner, Aijun Ye, Stoyan Karabunarliev. 2003-10-20. Current producing states in molecular semiconductors: photo-current from a molecular wire. https://arxiv.org/abs/cond-mat/0310476

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