Effect of the Encapsulation ofM(M=Cs,Li and Na) Atom on Spin Dependent Transport of C₆₀Cage

Abstract

Using the nonequilibrium Green's function approach (NEGF), the spin-dependent carrier transport is investigated in a molecular junction consisting of a M@C60 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 C 60 molecule becomes magnetic by the encapsulating of M atom. Beside, the maximum values of magnetic moment can reach about 2μ B and the spin polarization can reaches as high as about 95%. The calculated results can be important for application in spintronic.