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arXiv 2609.21198physics.chem-ph

声子手性作为CISS的加性控制:一种对称性保护的定律

Phonon chirality as an additive control of CISS: a symmetry-protected law

Shi-Qi Zhang, Vipul Upadhyay, Jiayue Han, Amikam Levy, Wenjie Dou

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中文总结 AI 辅助

本研究通过螺旋紧束缚模型和表面跳跃计算,揭示声子手性可线性叠加于分子手性,以增强、抵消或反转CISS信号,并由镜像对称性保护。

中文摘要 AI 辅助

手性诱导自旋选择性(CISS)通常与分子手性相关。手性声子的可能贡献尚不明确。我们研究了一个螺旋紧束缚模型,其中局域声子角动量调制自旋相关的最近邻跳跃。最少切换面跳跃计算给出的透射自旋极化$\mathrm{SP}=aC+b\mathrm{PH}$。这里$C$是分子手性,$\mathrm{PH}$是声子手性。镜像对称同时反转$C$、$\mathrm{PH}$和$\mathrm{SP}$。该对称性排除了与手性无关的偏移项和$C\cdot\mathrm{PH}$项。因此,声子贡献可以增强、抵消或反转分子CISS信号。

英文摘要

Chirality-induced spin selectivity (CISS) is usually associated with molecular handedness. The possible contribution of chiral phonons is less established. We study a helical tight-binding model in which local phonon angular momentum modulates spin-dependent nearest-neighbor hopping. Fewest-switches surface hopping calculations give the transmitted spin polarization $\mathrm{SP}=aC+b\mathrm{PH}$. Here $C$ is the molecular chirality and $\mathrm{PH}$ is the phonon chirality. A mirror symmetry reverses $C$, $\mathrm{PH}$, and $\mathrm{SP}$ simultaneously. This symmetry excludes both a chirality-independent offset and a $C\cdot\mathrm{PH}$ term. The phonon contribution can therefore enhance, cancel, or reverse the molecular CISS signal.

发表机构

  • Westlake University(西湖大学)
  • Bar-Ilan University(巴伊兰大学)
  • Westlake Institute for Advanced Study(西湖高等研究院)

机构由 AI 辅助整理,请以论文原文为准。

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