Theoretical study of molecule mediated spin-polarized electron tunneling between magnetic materials

Spin-polarized electron tunneling via a self-assembled monolayer of σ-bonded bicyclo[2.2.2]octane-1,4-dithiol on Ni(1 1 1) is calculated by first-principles methods. Comparison with a similar study involving π-conjugated molecules, suggests that the magnitude of the tunnel current and the spin-dependent current are strongly influenced by the nature of chemical bonds in the molecular structure.