2003/10/20 by Eric R. Bittner, Bittner, Eric R., Aijun Ye +3
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.cond-mat/0310476
7 pages, 8 figures
arxiv created 2003/10/20 · arxiv updated 2009/12/01
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.