Spin filtering in transport through single-molecule magnet Mn12

We investigate electronic transport through a single-molecule magnet Mn12 in a two-terminal set up using the Green's function method in conjunction with density-functional theory. Our transport calculation will provide crucial information on the effect of interfaces and molecular geometry on transport, and complement theoretical studies based on many-body model Hamiltonians. We consider a single-molecule magnet Mn12 bridged between Au electrodes via thiol group and alkane chains such that its magnetic easy axis is normal to the transport direction. The electrodes are treated semi-infinite and the transport calculation is performed self-consistently within density-functional theory. We present a spin-filtering effect through Mn12 and coupling strength of the Mn12 and electrodes. We also discuss the effect of additional electron correlations on the transport.