THEORY OF SEMICONDUCTOR SURFACE STATES AND METAL-SEMICONDUCTOR INTERFACES.

Abstract

The electronic structure of vacuum-semiconductor and metal-semiconductor interfaces has been studied using a method involving self-consistent pseudopotentials. The authors' model for an intimate metal-semiconductor interface consists of jellium in contact with a semiconductor described in the pseudopotential formalism. Local density of states and charge densities are used to analyze the electron properties of the two types of interfaces. For metal-semiconductor interfaces, jellium of Al density in contact with (111) surfaces of Si and the (110) surfaces of GaAs, ZnSe, and ZnS are investigated. The calculated Schottky barrier heights are in good agreement with experimental results. The relation of the authors' results to other theories and current experiments is discussed.