APS 1996 March Meeting Abstract TITLE: Determination of Near-surface Ge and Si Site Occupation in Ge/Si(100) AUTHORS: Michael A. Leskovar, Shuang Meng, Uwe Hessinger and Marjorie A. Olmstead ABSTRACT: When Ge is deposited on Si(001), the larger size and lower surface energy of the Ge should impede intermixing. However, the strain induced by the surface reconstruction has been predicted to result in a preference for Si in some near-surface sites. The specifics of the predicted site segregation depend on whether an empirical or ab-initio potential is used. We have investigated the near-surface site occupation of well-annealed <= 2 ML Ge films on single-domain Si(100)4\deg 2x1 surfaces using X-ray photoelectron diffraction (XPD) and low energy electron diffraction (LEED). Sub-monolayer Ge deposition at 500\degC results in the Ge residing in the top layer (no forward scattering in Ge XPD) while the LEED pattern remains mostly 2x1. This implies Ge exchange with the surface Si layer, followed by transport of the displaced Si to preserve the dimer row orientation relative to that of the steps. At higher temperatures and/or coverages some Si-Ge intermixing may be observed.