Session O17 - Heterostructures: General.
MIXED session, Thursday afternoon, March 20
Room 2215, Conv. Center
Full-potential linear muffin-tin orbital calculations were used to study the structural relaxation, bonding, and Schottky barrier formation at the ErAs/GaAs (001) interface. The two structures investigated contain a common As sublattice but the GaAs is either terminated in a Ga layer or in an As layer. We find that the former has lower energy and exhibits an outward relaxation of the interplanar distance at the interface. The Fermi level at the interface is pinned by interface states which have GaAs surface dangling bond character. The electronic structure at the interface resembles closely that of the ideal surfaces and is indicative of weak bonding.