Self-Consistent Pseudopotential Calculation for a Metal-Semiconductor Interface

Abstract

The electronic structure of a jellium-Si interface is calculated with use of 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. The states which exist in the Si fundamental gap are bulklike in jellium and decay into Si with high concentration in the dangling-bond free-surface-like Si state. The calculated barrier height is in excellent agreement with experiment.