Quantum transport through Na@C60 endohedral complex

We have investigated the electronic transport properties of molecular junctions constructed by Na@C60 molecule by using non-equilibrium Green’s function based on Landauer-Büttiker formula. For the systems under investigation, we study the effects of contact geometries and displacement of the central atom. Our results indicate thatthe electronic transport properties are obviously affected by the number of contact points between the device electrodes and the molecule. Also the movement of the central atom can play an important role in the electron conduction.

کلیدواژه ها:

Endohedral fullerene ، Electronic transport ، Non-equilibrium Green’s function ، Contact geometries