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

Abstract

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 AlN 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 AlN 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.

Interface structural stability of Zr on the AIN(0001) surface: An ab‐initio study

“…Finally, recent experimental and theoretical studies have shown the importance of the transition‐metal adsorption on AlN surfaces; in particular, has been studied the V , Ti , Cr , Au adsorption on AlN surfaces. Additionally, it also has been studied the formation of transition‐metal interlayers on the AlN(0001) surface, as: VN , TiN , CrN , NbN and ZrN .…”