标题： 由手性驱动的磁化源于相对论四电流动力学 显示英文标题

标题： Chirality-Driven Magnetization Emerges from Relativistic Four-Current Dynamics

摘要： 手性诱导自旋选择性（CISS）是一种显著的量子现象，其中电子通过手性分子的输运会导致自旋极化——即使在没有磁场或磁性成分的情况下也是如此。 尽管在DNA、螺旋烯、蛋白质和聚合物等系统中观察到了这种现象，但CISS的基本物理起源仍未解决。 在这里，我们引入了一个时变相对论四流框架，在这个框架中，电荷和电流密度根据时变变分原理演化。 实时相对论四流模拟能够直接分析螺旋电流和诱导磁化动力学。 应用于轴向手性且缺乏立体中心的螺旋烯分子时，我们的模拟揭示了由曲率诱导的螺旋电子电流，这些电流生成沿分子轴方向排列的自发磁场。 这些磁场具有手性依赖性，并能达到单个螺旋烯链上$10^{-1}$特斯拉的数量级。 我们的研究结果表明，CISS可能源于内在的、相对论性的曲率诱导的螺旋电流以及手性分子中的相关磁场。 这一四流机制为自旋选择性提供了一种独立于界面效应或强自旋轨道耦合的自我解释。 此外，我们的结果还提出了几个可以用于实验探索的可测试假设。 显示英文摘要

摘要： 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 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 $10^{-1}$~Tesla 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 spin selectivity, independent of interfacial effects or strong spin-orbit coupling. Furthermore, our results lead to several testable hypotheses that can be explored in experiments.