First-principles study of electronic transport properties of C_(20) F_(20) molecule
C_(20) F_(20)分子电子输运性质的第一性原理研究

Using first-principles density functional theory and non-equilibrium Green's function method,we investigated the electronic transport properties of C_(20) F_(20) molecule.The calculation shows that the zero bias equilibrium conductance of C_(20)F_(20) molecule is 0.385 G_0.The I-V curve presents good linear characteristic.Under finite bias voltage the molecule displays stable conductance characteristic,and could be made as one steadying resistance molecular device.