Unified model for conductance through DNA with the Landauer-Büttiker formalism

In this work, we model the zero-bias conductance for the four different DNA strands that were used in conductance measurement experiment. Our approach consists of three elements: (i) ab initio calculations of DNA, (ii) Green's function approach for transport calculations, and (iii) the use of t...

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Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2013-02, Vol.87 (8), Article 085404
Hauptverfasser: Qi, Jianqing, Edirisinghe, Neranjan, Rabbani, M Golam, Anantram, M P
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Sprache:eng
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Zusammenfassung:In this work, we model the zero-bias conductance for the four different DNA strands that were used in conductance measurement experiment. Our approach consists of three elements: (i) ab initio calculations of DNA, (ii) Green's function approach for transport calculations, and (iii) the use of two parameters to determine the decoherence rates. We first study the role of the backbone. We find that the backbone can alter the coherent transmission significantly at some energy points by interacting with the bases, though the overall shape of the transmission stays similar for the two cases. By fitting the experimental trends and magnitudes in the conductance of the four different DNA molecules, we estimate for the first time that the deocherence rate is 6 meV for G:C and 1.5 meV for A:T base pairs.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.87.085404