Theory of the Chemical Shift at Relaxed (110) Surfaces of III-V Semiconductor Compounds

Abstract

Surface core-level shifts for many semiconductor compounds are calculated in a tight-binding treatment, and with a local-charge-neutrality approximation. Both ideal and relaxed (110) surfaces are considered. Taking into account first-layer atomic displacements strongly modifies the values of calculated surface core-level shifts and provides a good agreement with experimental values.