Abstract
The spin-polarized transport across a single-molecule magnet [Mn3Zn(hmp)3O(N3)3(C3H5O2)3]·2CHCl3 has been investigated using a density functional theory combined with Keldysh non-equilibrium Green’s function formalism. It is shown that this single-molecule magnet has perfect spin filter behaviour. By adsorbing Ni3 cluster onto non-magnetic Au electrode, a large magnetoresistance exceeding 172% is found displaying molecular spin valve feature. Due to the tunneling via discrete quantum-mechanical states, the I–V curve has a stepwise character and negative differential resistance behaviour.
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