Abstract
Using the nonequilibrium Green's function approach (NEGF), the spin-dependent carrier transport is investigated in a molecular junction consisting of a molecule coupled to two semi-infinite single wall carbon nanotubes (SWCNT) leads. The effects of the M atom position and type and the contacts type have been considered on charge current, the maximum value of magnetic moment and the spin polarization. The results indicate that the molecule becomes magnetic by the encapsulating of M atom. Beside, the maximum values of magnetic moment can reach about and the spin polarization can reaches as high as about 95%. The calculated results can be important for application in spintronic.
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