Atomic geometries of InP(110)-Sb(1 ML) and GaAs(110)-Sb(1 ML).

Abstract

Using the ab initio molecular-dynamics method I have calculated the equilibrium atomic geometry for a monolayer coverage of Sb on InP(110) and GaAs(110) surfaces. For the «epitaxial continued layer structure» the absorption of Sb almost completely removes the relaxation of the clean surfaces. For Sb/GaAs the overlayer is characterized by a tilt angle of ω 1 =1.2 o and a vertical shear of Δ 1, ⊥=0.04 A