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We have used Low Energy Electron Diffraction (LEED) I-V analysis and abinitio calculations to quantitatively determine the honeycomb chain modelstructure for the Si(111)-3x2-Sm surface. This structure and a similar 3x1recontruction have been observed for many Alkali-Earth and Rare-Earth metals onthe Si(111) surface. Our ab initio calculations show that there are two almostdegenerate sites for the Sm atom in the unit cell and the LEED I-V analysisreveals that an admixture of the two in a ratio that slightly favours the sitewith the lower energy is the best match to experiment. We show that the I-Vcurves are insensitive to the presence of the Sm atom and that this results ina very low intensity for the half order spots which might explain theappearance of a 3x1 LEED pattern produced by all of the structures with a 3x2unit cell.

Quantitative LEED I-V and ab initio study of the Si(111)-3x2-Sm surface structure and the missing half order spots in the 3x1 diffraction pattern