Davis, Nicholas S., Lawn, Julian A., Preston, Riley J., and Kosov, Daniel S. (2024) Current-driven mechanical motion of double stranded DNA results in structural instabilities and chiral-induced-spin-selectivity of electron transport. Journal of Chemical Physics, 161 (14). 144107.

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Abstract

Chiral-induced-spin-selectivity of electron transport and its interplay with DNA’s mechanical motion are explored in a double stranded DNA helix with spin–orbit-coupling. The mechanical degree of freedom is treated as a stochastic classical variable experiencing fluctuations and dissipation induced by the environment as well as force exerted by nonequilibrium, current-carrying electrons. Electronic degrees of freedom are described quantum mechanically using nonequilibrium Green’s functions. Nonequilibrium Green’s functions are computed along the trajectory for the classical variable taking into account dynamical, velocity dependent corrections. This mixed quantum-classical approach enables calculations of time-dependent spin-resolved currents. We showed that the electronic force may significantly modify the classical potential, which, at sufficient voltage, creates a bistable potential with a considerable effect on electronic transport. The DNA’s mechanical motion has a profound effect on spin transport; it results in chiral-induced spin selectivity, increasing spin polarization of the current by 9% and also resulting in temperature-dependent current voltage characteristics. We demonstrate that the current noise measurement provides an accessible experimental means to monitor the emergence of mechanical instability in DNA motion. The spin resolved current noise also provides important dynamical information about the interplay between vibrational and spin degrees of freedom in DNA.

Item ID:	85482
Item Type:	Article (Research - C1)
ISSN:	1089-7690
Copyright Information:	© 2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Date Deposited:	14 May 2025 03:10
FoR Codes:	51 PHYSICAL SCIENCES > 5102 Atomic, molecular and optical physics > 510201 Atomic and molecular physics @ 100%
SEO Codes:	28 EXPANDING KNOWLEDGE > 2801 Expanding knowledge > 280120 Expanding knowledge in the physical sciences @ 100%
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