Spin-polarized quantum transport in Si dangling bond wires

We report theoretical modeling of spin-dependent quantum transport properties of dangling bond wires (DBWs) on the Si(100)-2 × 1:H surface. A single spin-polarized dangling bond center (DBC) near the DBW may strongly affect transport as characterized by anti-resonances or dips in the transmission spectra. Such spin-dependent gating can be effective up to a distance of 1.5 nanometer between the DBW and the DBC. At the energies where anti-resonances occur, the scattering states of the system are found to be "attracted" to the DBC - rather than moving forward to the existing electrode. The variety of gating effects can be well organized by a physical picture, i.e. a strong hybridization or interaction between the spin-polarized DBW and DBC occurs with the same spin polarization (at DBW and DBC) and at similar energy. The sharp spin-resolved anti-resonance in the DBW gives rise to a spin-filtering effect up to 100% efficiency.