手性诱导自旋-轨道耦合和自旋选择性。

IF 2.8 2区化学 Q3 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry A Pub Date : 2025-09-29 DOI:10.1021/acs.jpca.5c05383

Massimiliano Di Ventra*, , , Rafael Gutierrez*, , and , Gianaurelio Cuniberti*,

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引用次数: 0

摘要

我们证明了沿一维螺旋路径运动的旋量由于路径的曲率而产生自旋-轨道耦合。我们估计了相关的自旋极化的大小，并获得了许多显示手性诱导自旋选择性（CISS）效应的螺旋分子结构的典型值。我们发现这种手性诱导的自旋轨道耦合（χ-SOC），以及时间反转对称性的破坏，可能是CISS现象微观基础的重要组成部分。

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Chirality-Induced Spin–Orbit Coupling and Spin Selectivity

We show that a spinor traveling along a one-dimensional helical path develops a spin–orbit coupling as a result of the curvature of the path. We estimate the magnitude of the associated spin polarization and obtain values typical of many helical molecular structures that showcase the Chirality-induced Spin Selectivity (CISS) effect. We find that this chirality-induced spin–orbit coupling (χ-SOC), in conjunction with broken time-reversal symmetry, may be an important ingredient for the microscopic underpinning of the CISS phenomenon.

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来源期刊

The Journal of Physical Chemistry A 化学-物理：原子、分子和化学物理

CiteScore

5.20

自引率

10.30%

发文量

922

审稿时长

1.3 months

期刊介绍： The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.