Chirality-driven magnetization emerges from relativistic four-current dynamics

Chirality-induced spin selectivity (CISS) is a striking quantum phenomenon in which electron transport through chiral molecules leads to spin polarization—even in the absence of external magnetic fields or magnetic components. Although observed in systems such as DNA, helicenes, proteins, and polymers, the fundamental physical origin of CISS remains unresolved. Here, we introduce a time-dependent relativistic four-current framework, in which charge and current densities evolve according to the time-dependent variational principle. Real-time relativistic four-current simulations enable direct analysis of helical currents and induced magnetization dynamics. Applied to helicenes—axially chiral molecules lacking stereocenters—our simulations reveal curvature-induced helical electron currents that generate spontaneous magnetic fields aligned along the molecular axis. These fields are handedness-dependent and reach magnitudes of 10−1 T per single helicene strand. Our results suggest that CISS may arise from intrinsic, relativistic, curvature-induced helical currents and the associated magnetic fields within chiral molecules. This four-current mechanism offers a self-contained explanation for the driving force underlying spin selectivity, independent of interfacial effects or unphysically enhanced spin–orbit coupling. Furthermore, our results provide a new perspective that offers a unifying framework with the potential to reconcile many existing hypotheses and theoretical models, while also suggesting several testable predictions that can be examined experimentally.

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Publication Details

Journal
APL Computational Physics
Published
2026-01-14
DOI
https://doi.org/10.1063/5.0313445
Primary Topic
Synthesis and Properties of Aromatic Compounds
Type
article
Field-Weighted Citation Impact
0.00

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article

Chirality-driven magnetization emerges from relativistic four-current dynamics

Xuechen Zheng, Shiv Upadhyay, Agam Shayit, Tian Wang et al.
APL Computational Physics
Synthesis and Properties of Aromatic Compounds
article

Chirality-driven magnetization emerges from relativistic four-current dynamics

Xuechen Zheng, Shiv Upadhyay, Agam Shayit, Tian Wang, Xiaosong Li, Jun Liu
article en

Abstract

Chirality-induced spin selectivity (CISS) is a striking quantum phenomenon in which electron transport through chiral molecules leads to spin polarization—even in the absence of external magnetic fields or magnetic components. Although observed in systems such as DNA, helicenes, proteins, and polymers, the fundamental physical origin of CISS remains unresolved. Here, we introduce a time-dependent relativistic four-current framework, in which charge and current densities evolve according to the time-dependent variational principle. Real-time relativistic four-current simulations enable direct analysis of helical currents and induced magnetization dynamics. Applied to helicenes—axially chiral molecules lacking stereocenters—our simulations reveal curvature-induced helical electron currents that generate spontaneous magnetic fields aligned along the molecular axis. These fields are handedness-dependent and reach magnitudes of 10−1 T per single helicene strand. Our results suggest that CISS may arise from intrinsic, relativistic, curvature-induced helical currents and the associated magnetic fields within chiral molecules. This four-current mechanism offers a self-contained explanation for the driving force underlying spin selectivity, independent of interfacial effects or unphysically enhanced spin–orbit coupling. Furthermore, our results provide a new perspective that offers a unifying framework with the potential to reconcile many existing hypotheses and theoretical models, while also suggesting several testable predictions that can be examined experimentally.

APL Computational PhysicsVol. 2(1)
North Carolina State University (US), University of Washington (US), University of Washington Applied Physics Laboratory (US)
National Science Foundation, Multidisciplinary University Research Initiative, Office of Advanced Cyberinfrastructure, Division of Chemistry
Openalex Percentile: Top 62%
Synthesis and Properties of Aromatic Compounds
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