Calculated and measured Auger lineshapes in clean Si ( 100 ) 2 X 1 , SiO

The measurements were performed on the clean 2 x 1 reconstructed Si(100) surface and this surface exposed to molecular oxygen (0,) or nitric oxide (NO) at room temperature. The data were corrected for electron loss and spectrometer distortions using our newly developed deconvolution method. This method which uses global approximation and spline functions can overcome several difficulties with respect to deconvolution and allows us to derive high-quality Auger lineshapes from the Si L2,,VV Auger electron spectra. Our experimentally obtained Auger lineshapes were compared with theoretical lineshapes utilising quantum chemical cluster calculations. We used this type of calculation for the interpretation of the Auger lineshape in the actual p-like and s-like partial local density of states for different types of silicon atom. The observed intensities of the major features are in reasonable agreement with our calculations.