Manipulation of Giant Field-Like Spin Torque in Amine-Ended Single-Molecule Magnetic Junctions

We propose a comprehensive theoretical investigation for the angular, external bias and mechanical strain dependence of the giant field-like spin torque (FLST) effect for amine-ended Co/BDA/Co single-molecule magnetic junctions in the non-collinear magnetic configuration, by employing our newly developed nonequilibrium Green’s function method within the framework of density functional theory. In sharp contrast to the conventional Co/vacuum/Co magnetic tunnel junction, the hard–hard coupling between the amine linker and the Co tip atom plays an active role in the interfacial spin filter to emerge the strong interlayer exchange coupling between two Co electrodes and the anomalous strain-enhanced FLST effect. These intriguing features may pave a novel way to engineer the magnetization switching via either external bias or mechanical strain to achieve the writing process in next-generation multifunctional organic FLST-MRAMs with lower power consumption. https://pubs.acs.org/doi/10.1021/acs.jpcc.8b03772