Kettner Matthias, Maslyuk Volodymyr V, Nürenberg Daniel, Seibel Johannes, Gutierrez Rafael, Cuniberti Gianaurelio, Ernst Karl-Heinz, Zacharias Helmut
Center for Soft Nanoscience and Physikalisches Institut , University of Münster , 48149 Münster , Germany.
Institute for Materials Science and Max Bergmann Center of Biomaterials , TU Dresden , 01062 Dresden , Germany.
J Phys Chem Lett. 2018 Apr 19;9(8):2025-2030. doi: 10.1021/acs.jpclett.8b00208. Epub 2018 Apr 9.
The interaction of low-energy photoelectrons with well-ordered monolayers of enantiopure helical heptahelicene molecules adsorbed on metal surfaces leads to a preferential transmission of one longitudinally polarized spin component, which is strongly coupled to the helical sense of the molecules. Heptahelicene, composed of only carbon and hydrogen atoms, exhibits only a single helical turn but shows excess in longitudinal spin polarization of about P = 6 to 8% after transmission of initially balanced left- and right-handed spin polarized electrons. Insight into the electronic structure, that is, the projected density of states, and the spin-dependent electron scattering in the helicene molecule is gained by using spin-resolved density functional theory calculations and a model Hamiltonian approach, respectively. Our results support the semiclassical picture of electronic transport along a helical pathway under the influence of spin-orbit coupling induced by the electrostatic molecular potential.
低能光电子与吸附在金属表面的对映体纯螺旋七螺烯分子的有序单层相互作用,导致一个纵向极化自旋分量的优先传输,该分量与分子的螺旋方向强烈耦合。仅由碳和氢原子组成的七螺烯仅呈现单螺旋,但在初始平衡的左旋和右旋自旋极化电子传输后,纵向自旋极化表现出约P = 6%至8%的过量。分别通过使用自旋分辨密度泛函理论计算和模型哈密顿方法,深入了解了七螺烯分子的电子结构,即投影态密度和自旋相关电子散射。我们的结果支持了在静电分子势诱导的自旋轨道耦合影响下,沿螺旋路径进行电子输运的半经典图景。