CISS effect: Magnetocurrent-voltage characteristics with Coulomb interactions. II

J Chem Phys. 2023 May 7;158(17):174108. doi: 10.1063/5.0148748.

Abstract

One of the manifestations of chirality-induced spin selectivity is the appearance of a magnetocurrent. Magnetocurrent is defined as the difference between the charge currents at finite bias in a two terminal device for opposite magnetizations of one of the leads. In experiments on chiral molecules assembled in monolayers the magnetocurrent is dominantly odd in bias voltage, while theory often yields an even one. From theory it is known that the spin-orbit coupling and chirality of the molecule can only generate a finite magnetocurrent in the presence of interactions, either of the electrons with vibrational modes or among themselves, through the Coulomb interaction. Here we analytically show that the magnetocurrent in bipartite-chiral structures mediated through Coulomb interactions is exactly even in the wide band limit and exactly odd for semi-infinite leads due to the bipartite lattice symmetry of the Green's function. Our numerical results confirm these analytical findings.