Huisman Karssien Hero, Heinisch Jan-Brian Mi-Yu, Thijssen Joseph Marie
Kavli Institute of Nanoscience, Delft University of Technology, 2628 CJ Delft, The Netherlands.
J Phys Chem C Nanomater Interfaces. 2023 Apr 3;127(14):6900-6905. doi: 10.1021/acs.jpcc.2c08807. eCollection 2023 Apr 13.
One of the manifestations of chirality-induced spin selectivity (CISS) is the appearance of a magnetocurrent. Magnetocurrent is the observation that the charge currents at finite bias in a two terminal device for opposite magnetizations of one of the leads differ. Magnetocurrents can only occur in the presence of interactions of the electrons either with vibrational modes or among themselves through the Coulomb interaction. In experiments on chiral molecules assembled in monolayers, the magnetocurrent seems to be dominantly cubic (odd) in bias voltage while theory finds a dominantly even bias voltage dependence. Thus far, theoretical work has predicted a magnetocurrent which is even bias. Here we analyze the bias voltage dependence of the magnetocurrent numerically and analytically involving the spin-orbit and Coulomb interactions (through the Hartree-Fock and Hubbard One approximations). For both approximations it is found that for strong Coulomb interactions the magnetocurrent is dominantly odd in bias voltage, confirming the symmetry observed in experiment.
手性诱导自旋选择性（CISS）的一种表现形式是磁电流的出现。磁电流是指在一个两终端器件中，当一个引线的磁化方向相反时，有限偏压下的电荷电流存在差异的现象。磁电流只有在电子通过库仑相互作用与振动模式或彼此之间发生相互作用时才会出现。在单层组装的手性分子实验中，磁电流在偏置电压下似乎主要是三次方（奇数）的，而理论上发现其主要依赖于偶数偏置电压。到目前为止，理论工作预测的磁电流是偶数偏置的。在这里，我们通过数值和解析方法分析了磁电流对偏置电压的依赖性，其中涉及自旋轨道和库仑相互作用（通过哈特里 - 福克和哈伯德一阶近似）。对于这两种近似方法，都发现对于强库仑相互作用，磁电流在偏置电压下主要是奇数的，这证实了实验中观察到的对称性。
