Spin conductances and magnetization production in chiral molecular junctions

• Published in: The Journal of chemical physics Vol. 161; no. 9
• Main Authors: Korytár, Richard, van Ruitenbeek, Jan M., Evers, Ferdinand
• Format: Journal Article
• Published: 07.09.2024
• ISSN: 0021-9606; 1089-7690
• DOI: 10.1063/5.0226594

Motivated by experimental reports on chirality induced spin selectivity, we investigate a minimal model that allows us to calculate the charge and spin conductances through helical molecules analytically. The spin–orbit interaction is assumed to be non-vanishing on the molecule and negligible in the reservoirs (leads). The band structure of the molecule features four helical modes with spin-momentum locking that are analogous of edge-currents in the quantum spin Hall effect. While charge is conserved and therefore the charge current is independent of where it is measured—reservoirs or molecule—our detailed calculations reveal that the spin currents in the left and right leads are equal in magnitudes but with opposite signs (in linear response). We predict that transport currents flowing through helical molecules are accompanied by a spin accumulation in the contact region with the same magnetization direction for source and drain. Furthermore, we predict that the spin-conductance can be extracted directly from measuring the (quasi-static) spin accumulation—rather than the spin current itself, which is very challenging to obtain experimentally.