Simulation and analysis of X-ray photoemission and Auger valence band spectra of hydrogenated amorphous silicon

Clare, B.W., Jennings, P.J., Lund, C.P., Cornish, J.C.L. and Hefter, G. (1998) Simulation and analysis of X-ray photoemission and Auger valence band spectra of hydrogenated amorphous silicon. Thin Solid Films, 326 (1-2). pp. 160-165.

Abstract

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 the 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.