Thin Solid Films, Vol.326, No.1-2, 160-165, 1998
Simulation and analysis of X-ray photoemission and Auger valence band spectra of hydrogenated amorphous silicon
The X-ray photoemission (XPS) and Auger electron spectra (AES) of amorphous silicon have been simulated using the semi-empirical quantum mechanical molecular modelling package, MOPAC. The calculated spectra compare well with those obtained experimentally and provide a basis for thr interpretation and analysis of the features in the experimental spectra. Changes in the spectra as a result of hydrogenation of the material are also analysed. The results of this study illustrate how simulation of XPS and AES spectra can be used to obtain semi-quantitative information about the hydrogen content and the type of Si-H bonding present in amorphous silicon alloys.