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Phys. Rev. B 75, 115125 (2007) [8 pages]

Influence of vibrational modes on the electronic properties of DNA

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Benjamin B. Schmidt1,2, Matthias H. Hettler2, and Gerd Schön1,2
1Institut für Theoretische Festkörperphysik and DFG-Center for Functional Nanostructures (CFN), Universität Karlsruhe, 76128 Karlsruhe, Germany
2Forschungszentrum Karlsruhe, Institut für Nanotechnologie, Postfach 3640, 76021 Karlsruhe, Germany

Received 29 November 2006; revised 29 January 2007; published 26 March 2007

We investigate the electron (hole) transport through short double-stranded DNA wires in which the electrons are strongly coupled to the specific vibrational modes (vibrons) of the DNA. We analyze the problem starting from a tight-binding model of DNA, with parameters derived from ab initio calculations, and describe the dissipative transport by equation-of-motion techniques. For homogeneous DNA sequences like poly-(guanine-cytosine), we find the transport to be quasiballistic with an effective density of states which is modified by the electron-vibron coupling. At low temperatures, the linear conductance is strongly enhanced, but above the “semiconducting” gap it is much less affected. In contrast, for inhomogeneous (“natural”) sequences, almost all states are strongly localized and transport is dominated by dissipative processes. In this case, a nonlocal electron-vibron coupling influences the conductance in a qualitative and sequence-dependent way.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.75.115125
DOI:
10.1103/PhysRevB.75.115125
PACS:
71.38.−k, 05.60.−k, 87.14.Gg, 72.20.Ee