High-efficiency spin filtering in salophen-based molecular junctions modulated with different transition metal atoms

Based on the density functional theory and nonequilibrium Green's function methods, we investigate the spin transport properties of the molecular junctions constructed by a homologous series of 3d transition metal(II) salophens (TM-salophens, TM = Co, Fe, Ni and Mn) sandwiched between two gold electrodes. It is found that among the four molecular junctions only Co-salophen junction can act as an efficient spin filter distinctively. The conductance through Co-salophen molecular junction is dominated by spin-down electrons. The mechanism is proposed for these phenomena. - Highlights: • The spin transport properties in salophen-based magnetic molecular junctions. • Perfect spin filtering behavior is observed in only Co-salophen junction. • The conductance through Co-salophen junction is dominated by spin-down electrons