Abstract

We report calculations of the intrinsic interface states for the Si/NiSi2(111)‐type A interface. All of these states are resonances, since NiSi2 is a metal, but one band is found to have a relatively narrow width throughout most of the surface Brillouin zone. This band, whose density of states peaks about 1–2 eV below the Si valence band maximum Ev, should be observable in photoemission experiments. It is associated primarily with Si p and Ni p orbitals in the NiSi2, but also has some Si p amplitude on the Si side of the interface. Resonances associated primarily with Ni d orbitals are found about 3–4 eV below Ev.

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