Regensburg 2025 – scientific programme
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MA: Fachverband Magnetismus
MA 34: Molecular Magnetism
MA 34.10: Talk
Thursday, March 20, 2025, 12:00–12:15, H18
The Role of Quantum Vibronic Effects in the Spin Polarization of Charge Transport through Chiral Molecular Junctions — •Samuel Rudge1, Christoph Kaspar1, Riley Preston1, Joseph Subotnik2, and Michael Thoss1 — 1Institute of Physics, University of Freiburg — 2Department of Chemistry, Princeton University
The chirality-induced spin selectivity (CISS) refers to the experimentally observed phenomenon that the transport of spin-polarized electrons through chiral mediums can be highly asymmetric between the two spin orientations and enantiomers [1]. Although the exact mechanism underpinning the CISS effect is still unknown, one of the leading ideas is that it is connected to the coupling of transport electrons to molecular vibrations. In this contribution, we follow this theme by investigating CISS in the context of charge transport through a chiral molecular nanojunction via the numerically exact, fully quantum hierarchical equations of motion (HEOM) approach [2]. Specifically, we calculate charge currents through a two-site, two-mode model [3], focusing on the highly nonadiabatic regime of low-voltage charge transport, in which we find significant spin polarization.
[1] R. Naaman and D. H. Waldeck, Annu. Rev. Phys. Chem. 66, 263-281 (2015)
[2] C. Schinabeck, A. Erpenbeck, R. Härtle2, and M. Thoss, Phys. Rev. B 94, 201407(R) (2016)
[3] H.-H. Teh, W. Dou, and J. Subotnik, Phys. Rev. B 106, 184302 (2022)
Keywords: chirality-induced spin selectivity; quantum transport; molecular junctions; vibronic dynamic