手性自旋界面作为手性诱导自旋选择性效应中被忽视的组成部分
Chiral Spinterfaces as an Overlooked Component of the Chiral-Induced Spin Selectivity Effect
AI总结：
该研究证实分子-铁磁体界面是手性诱导自旋选择性（CISS）效应中被忽视的关键组成部分，通过实验与理论分析确定手性自旋界面的存在，为自旋选择性分子器件设计提供新的关键参数。
AI中文摘要：
手性诱导自旋选择性（CISS）效应通常被归因于自旋通过手性分子的选择性输运，而分子-电极界面的作用在很大程度上尚未被探索。在此，我们表明手性氨基酸衍生分子在铁磁性Ni薄膜上的吸附会产生一种剩磁依赖的手性磁光响应，该响应定位于分子-Ni/NiO界面，且可通过外磁场可逆切换，证明其具有真实的磁性特征。一系列全面的对照实验证实，该响应源于界面区域，而非分子层或块状铁磁体。第一性原理计算显示，Boc-甲硫氨酸的吸附通过能量上可及的硫结合和羧基结合构型进行，这些构型产生不同的分子取向及配体p轨道/Ni d轨道杂化，从而形成结构和电子特性截然不同的界面。综合实验与理论结果，支持手性自旋界面的形成，确定分子-铁磁体界面是CISS系统中活跃且此前被忽视的组成部分。这些发现拓展了超越手性分子本身的CISS微观图景，并揭示界面电子结构是自旋选择性分子器件的关键设计参数。
英文摘要：
The chiral-induced spin selectivity (CISS) effect is generally attributed to spin-selective transport through chiral molecules, while the role of the molecule-electrode interface remains largely unexplored. Here, we show that adsorption of chiral amino acid derived molecules on ferromagnetic Ni thin films generates a remanent chirality-dependent magneto-optical response that is localized to the molecule-Ni/NiO interface and can be reversibly switched by an external magnetic field, demonstrating its genuine magnetic character. A comprehensive series of control experiments establishes that the response originates from the interfacial region rather than from the molecular layer or the bulk ferromagnet. First-principles calculations reveal that Boc-methionine adsorption proceeds through energetically accessible sulfur- and carboxyl-bound configurations that produce distinct molecular orientations and ligand-p/Ni-d hybridization, thereby defining structurally and electronically distinct interfaces. Together, the experimental and theoretical results support the formation of chiral spinterfaces, identifying the molecule-ferromagnet interface as an active and previously overlooked component of CISS systems. These findings broaden the microscopic picture of CISS beyond the chiral molecule itself and reveals interface electronic structure as a key design parameter for spin-selective molecular devices.
