Berlin 2018 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 99: Poster Session: Transport

TT 99.8: Poster

Donnerstag, 15. März 2018, 15:00–19:00, Poster B

Vibronic dephasing model for coherent-to-incoherent crossover in DNA — •Patrick Karasch, Dmitry A. Ryndyk, and Thomas Frauenheim — Bremen Center for Computational Materials Science, Universität Bremen, Germany

In this work we investigate the interplay between coherent and incoherent charge transport in cytosine-guanine (GC) rich DNA molecules. Our objective is to introduce physically grounded approach to dephasing in large molecules and to understand the length dependent charge transport characteristics and especially the crossover from coherent tunneling to incoherent hopping regime at different temperatures. Therefore, we apply a vibronic dephasing model and compare the results to the Büttiker probe model which is commonly used to describe decoherence effects in charge transport. Using the full ladder model and simplified 1D model of DNA, we consider molecular junctions with alternating and stacked GC sequences and compare our results to recent experimental measurements.