手征诱导自旋选择性的自发干涉序
Chiral Induced Spin Selectivity as a Spontaneous Intertwined Order
摘要：
手性诱导自旋选择性（CISS）描述了手性分子的有效自旋过滤。自近二十年前发现以来，这种现象已经导致了对量子自旋的纳米级操纵，并在自旋电子学和量子计算中具有很好的应用前景。然而，其潜在的机制仍然是神秘的所需的自旋轨道相互作用（SOI）的强度是出乎意料的大。在这里，我们报告了一个多轨道理论的CISS，其中一个有效的SOI出现从自发形成的电子空穴配对引起的多体关联。这种机制产生了一个强大的SOI几十milielectronvolts的顺序，可以支持在CISS在室温下观察到的大自旋极化。我们的理论的一个核心组成部分是Wannier函数的价带和导带分别对应于一维和二维表示的空间旋转对称性周围的分子伸长方向。研究发现，SOI的诱导强度随着带隙的增大而减小。该理论为寻找具有CISS效应的分子提供了重要的指导。
英文摘要：
Chiral induced spin selectivity (CISS) describes efficient spin filtering by chiral molecules. This phenomenon has led to nanoscale manipulation of quantum spins with promising applications to spintronics and quantum computing, since its discovery nearly two decades ago. However, its underlying mechanism still remains mysterious for the required spin-orbit interaction (SOI) strength is unexpectedly large. Here we report a multi-orbital theory for CISS, where an effective SOI emerges from spontaneous formation of electron-hole pairing caused by many-body correlation. This mechanism produces a strong SOI to the order of tens of milielectronvolts which could support the large spin polarization observed in CISS at room temperature. One central ingredient of our theory is the Wannier functions of the valence and conduction bands correspond respectively to one- and two-dimensional representation of the spatial rotation symmetry around the molecule elongation direction. The induced SOI strength is found to decrease when the band gap increases. Our theory may provide important guidance for searching other molecules with CISS effects.
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