Electronic Properties of the Interface Between Metallic Doped Zigzag Graphene and Pristine Graphene Nanoribbons

摘要

The electronic properties of the interface between metallic doped zigzag graphene nanoribbons and perfect graphene nanoribbons are investigated. The density functional based tight-binding approach and a non-equilibrium Green function method are employed for our calculations. The atoms of Ni, Co, and Fe are used as doping atoms. The graphs of current-voltage, density of states, electron density, transmission spectrum, and rectification ratio are obtained. The results show that the bond lengths around the atoms of Ni, Co, and Fe are increased. Moreover, it is observed that for the graphene-based nanodevice the curves of current-voltage are linear and symmetric when no impurity exists and with the effect of impurities the curves are non-linear and asymmetric. While Ni, Co, and Fe impurities are applied into the systems we found that the maximum electron densities are located around the impurities of Ni and the current is decreased. The density of states and transmission spectrum are also examined for different systems. It is found that for certain amount of energies some resonances occur for the current, and the atoms at the edge of nanoribbon are mostly responsible for the transfer of the electrons. The obtained results can be of interest for the construction of nanoelectronic devices and can have practical applications.