Transmission Spectra and Quantum Current Distribution of C60 Molecular Device Connected to Different Electrodes

Electronic conductance and quantum current distribution of C₆₀ molecular device connected to different terminals are investigated theoretically by using nonequilibrium Green´s function approach based on tight-binding theory. The electronic transmission spectra of the C₆₀ molecule from an input terminal to the near- and the far-output terminals are obtained, respectively. The quantum currents inside the C₆₀ molecule are calculated and simulated by the current density method based on Fisher-Lee formula at the energy points E=-1.36 and +1.59eV, where the electron transmission probabilities peak. The results show that some larger loop electronic currents are induced inside the C₆₀, and the quantum current distributions agree well with Kirchhoff quantum current conservation law.