Self-limited oxide formation in Ni(111) oxidation

The oxidation of the Ni(111) surface is studied experimentally with low-energy electron microscopy and theoretically by calculating the electron reflectivity for realistic models of the NiO/Ni(111) surface with an ab initio scattering theory. Oxygen exposure at 300 K under ultrahigh-vacuum conditions leads to the formation of a continuous NiO(111)-like film consisting of nanosized domains. At 750 K, we observe the formation of a nanoheterogeneous film composed primarily of NiO(111) surface oxide nuclei, which exhibit virtually the same energy-dependent reflectivity as in the case of 300 K and which are separated by oxygen-free Ni(111) terraces. The scattering theory explains the observed normal incidence reflectivity R(E) of both the clean and the oxidized Ni(111) surface. At low energies, R(E) of the oxidized surface is determined by a forbidden gap in the k(parallel to) = 0 projected energy spectrum of the bulk NiO crystal. However, for both low-and high-temperature oxidation, a rapid decrease of the reflectivity in approaching zero kinetic energy is experimentally observed. This feature is shown to characterize the thickness of the oxide layer, suggesting an average oxide thickness of two NiO layers.