Calculated and measured Auger lineshapes for clean Si(100) 2×1, SiOx and Si-NO

Abstract

Summary form only given, as follows. Measurements were performed on a clean 2*1 reconstructed Si(100) surface and this surface was exposed to molecular oxygen (O2) or nitric oxide (NO) at room temperature. The data were corrected for electron loss and spectrometer distortions using the authors newly developed deconvolution method. This method which uses global approximation and spline functions can overcome several difficulties with respect to deconvolution and allows them to derive high-quality Auger lineshapes from the SiL2,3VV Auger electron spectra. The authors experimentally obtained Auger lineshapes were compared with theoretical lineshapes utilising quantum chemical cluster calculations. They 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 their calculations.