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arXiv · 1007.0035

Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands

C. D. Pemmaraju·I. Rungger·X. Chen·A. R. Rocha·S. Sanvito
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Abstract

The bias-dependent transport properties of short poly(G)-poly(C) A-DNA strands attached to Au electrodes are investigated with first principles electronic transport methods. By using the non- equilibrium Green's function approach combined with self-interaction corrected density functional theory, we calculate the fully self-consistent coherent I-V curve of various double-strand polymeric DNA fragments. We show that electronic wave-function localization, induced either by the native electrical dipole and/or by the electrostatic disorder originating from the first few water solvation layers, drastically suppresses the magnitude of the elastic conductance of A-DNA oligonucleotides. We then argue that electron transport through DNA is the result of sequence-specific short-range tunneling across a few bases combined with general diffusive/inelastic processes.

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C. D. Pemmaraju, I. Rungger, X. Chen, A. R. Rocha, S. Sanvito. 2010-06-30. Ab initio study of electron transport in dry poly(G)-poly(C) A-DNA strands. https://doi.org/10.1103/physrevb.82.125426

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