论文标题
工程分子结构以优化有机物中的旋转厅信号
Engineering the molecular structure to optimize the spin Hall signal in organics
论文作者
论文摘要
在这项研究中，通过工程化分子结构，我们分别将有机物中的自旋霍尔电导率和旋转霍尔角度优化了五个以上和三个数量级。我们确定有机分子的两个重要特征，即重元素的替代以及聚合物组成单元之间的扭转角，这对旋转霍尔信号具有显着影响。这些特征与自旋轨道耦合和能量障碍直接相关，这两者在高弹性聚合物中都具有广泛的化学可调性。我们计算易于合成分子的自旋大厅特性，并确定候选物在有机系统中表现出最大的自旋大厅信号，这比以前观察到的几个数量级。本研究通过引入具有更强的自旋霍尔信号的聚合物，靠近其无机对应物，从而带来了有机旋转的。
In this study, by engineering the molecular structure, we optimize the spin Hall conductivity and the spin Hall angle in organics by more than five and three orders of magnitude, respectively. We identify two important characteristics of organic molecules, namely substitution of heavy elements and the torsion angles between constituent units of the polymer, which have significant effects on the spin Hall signal. These characteristics are directly related to the spin-orbit coupling and the energetic disorder, both of which offer a wide scope of chemical tunability in high-mobility polymers. We compute the spin Hall characteristics for easily synthesized molecules and identify candidates to exhibit the largest spin Hall signals in organic systems, several orders of magnitude larger than previously observed. The present study brings organic spintronics, by introducing polymers with much stronger spin Hall signal, closer to their inorganic counterparts.
