Electronic and transport properties of a nanometer-scale Au/AIN(0001 )/Au junction from first-principles

摘要

A nanometer-scale Au/Al(0001)/Au junction has been studied by first-principles calculation methods. The calculated current density-voltage curve shows Ohmic behavior, switching effect, and negative differential conductance in various bias ranges. The electronic structure shows the existence of an intrinsic band tilt due to the polar nature of the A1N film, which gives rise to the presence of hole states at the N-surface side and interface states at the Al-surface side of the A1N film. The bias induced changes of hole and interface states and the states of the Al and N ions in central layers determine the transport property.