Chirality-Induced Spin Selectivity: A Minimal Model

Lorenzo Savi

doi:10.1021/acs.jpclett.5c01813

Lorenzo Savi

Leonardo Celada

D. K. Andrea Phan Huu

Alessandro Chiesa

Stefano Carretta

Anna Painelli *

DOI：10.1021/acs.jpclett.5c01813

原文链接

摘要

En 中文

手性诱导的自旋选择性（CISS）是一种引人入胜但尚未充分理解的现象，当电子穿过手性介质或分子时观察到。我们提出了一种电流约束方法，用于驱动电流通过扭曲p轨道的线性Hubbard链，从而模拟电子在手性分子系统中的运动。在此原创方法中，CISS可以在与绝热分子振动耦合的相关电子系统中得到解决。在某些参数空间中获得了显著的CISS响应，并在非半填充系统中观察到CISS的明显增强。Peierls振动扮演着特殊角色：在缺乏次近邻相互作用的情况下，Hubbard链中无法观察到CISS，但一个非平衡拉伸模式甚至在这些系统中也能导致有限的极化。

期刊

Journal of Physical Chemistry Letters

IF:

4.6

论文数:

2.7K

被引数:

7.4W

机构

University of Parma

学者数:

1.7W

论文数: 1.3W

被引数: 1.3W

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