Fermi level pinning and interface states at Pb-Si(111) interface

The first theoretical analysis of the electronic properties of the Pb-Si(111) interface at monolayer coverage is presented. We have used the self-consistent linear muffin-tin orbital method with the atomic-sphere-approximation in a supercell geometry. The results show the presence of a discrete true interface state which is responsible of the pinning of the Fermi level and of the large Schottky barrier heights found for this system.