The Overlayer Structure on the Si(001)-(2×3)-Ag Surface Determined by X-ray Photoelectron Diffraction

Abstract

X-ray photoelectron diffraction (XPD) patterns of Ag 3d electrons from a single domain Si(001)-(2×3)-Ag surface were examined. Single scattering cluster and multiple scattering cluster simulations of the Ag 3d XPD patterns indicate an overlayer that contains four Ag atoms aligned almost linearly along the threefold direction in the unit cell on the Si(001) surface. The four-Ag-atom arrangement is discussed in the light of other information obtained by STM, LEEM and photoemission studies, finding it very feasible.