Landau–Zener transitions with spin flipping in chiral structures

We study Landau-Zener transitions with the spin flipping of electron states in donor-chiral bridge-acceptor structures due to electron spin coupling with the strain tensor induced by the anisotropic phonon field of the chiral bridge molecule, where the transition rates near conical intersections between two potential energy surfaces for the right-handed and left-handed bridge structures are calculated. We find that the flipping rates sensitively depend on the handedness of the bridge molecules and could be significantly enhanced with the increasing of phonon wave vectors, displaying the crucial rules of the electron-phonon coupling for the spin selectivity effect in chiral structures. These results not only shed light on the microscopic mechanisms of chirality-induced spin selectivity but also enlighten the role of spin selectivity in electron transfer in chemical and biological systems.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-05-22
DOI
https://doi.org/10.1063/5.0262656
Primary Topic
Quantum and electron transport phenomena
Type
article
Field-Weighted Citation Impact
0.00

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article

Landau–Zener transitions with spin flipping in chiral structures

Y. X. Wang, Zi‐Wu Wang, Chun-Yu Cai, Ran‐Bo Yang et al.
The Journal of Chemical Physics
Quantum and electron transport phenomena
article

Landau–Zener transitions with spin flipping in chiral structures

Y. X. Wang, Zi‐Wu Wang, Chun-Yu Cai, Ran‐Bo Yang, Zhi‐Qing Li, Boran Zhou
article en

Abstract

We study Landau-Zener transitions with the spin flipping of electron states in donor-chiral bridge-acceptor structures due to electron spin coupling with the strain tensor induced by the anisotropic phonon field of the chiral bridge molecule, where the transition rates near conical intersections between two potential energy surfaces for the right-handed and left-handed bridge structures are calculated. We find that the flipping rates sensitively depend on the handedness of the bridge molecules and could be significantly enhanced with the increasing of phonon wave vectors, displaying the crucial rules of the electron-phonon coupling for the spin selectivity effect in chiral structures. These results not only shed light on the microscopic mechanisms of chirality-induced spin selectivity but also enlighten the role of spin selectivity in electron transfer in chemical and biological systems.

The Journal of Chemical PhysicsVol. 162(20)
Tianjin University (CN)
National Natural Science Foundation of China
Affordable and clean energy
Openalex Percentile: Top 91%
Quantum and electron transport phenomena
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Landau–Zener transitions with spin flipping in chiral structures — Y. X. Wang, Zi‐Wu Wang, et al. · The Journal of Chemical Physics (2025) | TGRS Research Map | TGRS