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arXiv · 2510.27061

Spin Dependence of Charge Dynamics and Group Velocity in Chiral Molecules

Riley Stuermer·Collin VanEssen·Jacob Byers·Keith Ferrer·Prasad Gudem·Diego Kienle·Jonas Fransson·Mani Vaidyanathan
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Abstract

Chiral molecules are known to preferentially select electrons with a particular spin state, an effect termed chirality-induced spin selectivity (CISS). In this work, the transient CISS dynamics in a chiral molecule are investigated through time-dependent quantum-transport simulations, an important step toward further understanding CISS and its application in devices such as magnetoresistive random access memories and spin-based quantum computers. We show that the spin-dependent group velocity of electrons is a possible contributor to a nonzero occupancy-based spin polarization throughout the chiral molecule. Contrary to the case which a chiral molecule is connected to a single lead, this spin polarization persists into the steady state when two leads are connected. We show that the simulated spin polarization qualitatively agrees with a reference experiment, as evidenced by the distinct magnetic-field signatures calculated from the spin polarization within a monolayer of chiral molecules.

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Riley Stuermer, Collin VanEssen, Jacob Byers, Keith Ferrer, Prasad Gudem, Diego Kienle, Jonas Fransson, Mani Vaidyanathan. 2025-10-31. Spin Dependence of Charge Dynamics and Group Velocity in Chiral Molecules. https://doi.org/10.1103/1g18-y6f1

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