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摘要
In this paper, a theoretical study of spin-polarized quantum transport through a CnX molecular junction is presented applying the Keldysh non-equilibrium Green's function formalism. The effects of contacts, doped atom and cage type and the gate and bias voltages on spin-polarized quantum transport through the CnX molecular junction are considered in calculations. The calculations indicate that the spin-dependent local density of states of the CnX molecules is the cause of magnetic moment on every carbon atom in the vicinity of the doped atom. Also, the spin polarization can reach as high as about 100% with proper selection of bias and gate voltages.
- 出版日期2011-10-5
