Electronic structure of a metal-semiconductor interface

The electronic structure of a jellium-Si interface is calculated using a jellium density corresponding to Al and self-consistent Si pseudopotentials. Local densities of states and charge densities are used to study states near the interface. At the Si surface, a high density of extra states is found in the energy range of the Si fundamental gap. These states are bulklike in jellium and decay into Si with a high concentration of charge in the dangling-bond free-surface-like Si state. Truly localized interface states are also found but at lower energies. The calculated barrier height is in excellent agreement with recent experimental results.