SKM 2023 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 12: Poster I
MM 12.5: Poster
Monday, March 27, 2023, 18:15–20:00, P2/OG1+2
Study of Electron Transport in a DNA model — •Jorge Cardenas-Gamboa1, José García2, and Solmar Varela1,3 — 1Yachay Tech University, School of Chemical Sciences & Engineering, 100119-Urcuquí, Ecuador — 2Institu Català de Nanociència I Nanotecnología(ICN2) ,08193-Barcelona, España — 3Institute for Materials Science and Nanotechnology, Technische Universität Dresden. Dresden 01062, Germany
In this work, we use the Landauer-Buttiker formula as implemented in the package KWANT (Python library) for studying quantum transport in a DNA molecule based in an analytical tight-binding Hamiltonian recently developed. In our simulation, we used a Hamiltonian considering a kinetic term, a term for intrinsic Spin-Orbit (SO) interaction related to the atomic SO coupling, and a Rashba interaction due to the electric dipoles associated with hydrogen bonds between the bases of the double strand of DNA and we tested the effect of magnetic and no-magnetic leads in the spin-selectivity of the molecule. We obtained that in our model, the spin-orbit coupling associated with the molecule can not be enough to explain the spin selectivity, however, in a system with presence of ferromagnetic leads, enhance the spin selectivity when it is included, which could explain the selectivity observed in similar experiments.