Non-equilibrium transport through quantum dots

Abstract

Electron transport through Ca@C₆₀ or Ca²⁺@C₆₀ molecules is considered by using the non-equilibrium Green’s function formalism and GW method. The effects of gate and bias voltages, encapsulation, position and displacement of ion into the cage are important factors in endohedral molecular junction that are considered in our calculations. The current value against the bias voltage, independent of the contacts strength, decreases when the calcium atom lies far from the cage center. Also, NDR behaviour is observed when it is in center of fullerene.