Band bending at the Ni/Si(100)-2×1 submonolayer interface

Band bending at the Ni/Si(100)-2×1 interface has been monitored by using Si 2p core level photoemission spectra. Two nickel-induced Si 2p components appear in the initial interaction between Ni and Si(100)-2×1, which is confined at the top surface and the first subsurface layers. At Ni coverage less than 0.0375 ML, Ni atoms prefer the adamantane interstitial sites on the first subsurface, but switch to the pedestal sites on Si dimer rows at higher Ni coverage. The change in the preferred occupation sites of Ni atoms on the Si(100)-2×1 surface strongly affects the amount of band bending shift. The shift towards higher binding energy, when Ni atoms occupy the adamantane interstitial sites, is attributed to metal-induced-gap states. While Ni atoms occupy the pedestal sites, the band bending shift is reduced which is attributed to the passivation of surface states.