Electronic structure of Cu overlayers on AlN

Abstract

The evolution of the electronic structure and bonding of Cu to AlN has been studied both experimentally and theoretically. Ab initio total-energy pseudofunction calculations indicate that the Cu adsorbate initially prefers formation of Cu–Al bonds, not Cu–N bonds. This theoretical finding is supported by good agreement between the density of states (DOS) and ultraviolet photoemission spectra (UPS) for low coverage of Cu on AlN. Cu–N bonds give a DOS in complete disagreement with UPS.