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

• Published in: Thin solid films 1998-08, Vol.326 (1), p.160-165
• Main Authors: Clare, B.W, Jennings, P.J, Lund, C.P, Cornish, J.C.L, Hefter, G.T
• Format: Article
• Language: English
• Subjects: Amorphous materials; Amorphous semiconductors, metallic glasses, glasses; Auger electron spectroscopy; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Crystal binding; cohesive energy; Crystalline state (including molecular motions in solids); Disordered structures; Electron and ion emission by liquids and solids; impact phenomena; Electron states; Electronic structure of disordered solids; Exact sciences and technology; Photoemission and photoelectron spectra; Physics; Silicon; Structure of solids and liquids; crystallography; X-Ray photoelectron spectroscopy
• ISSN: 0040-6090; 1879-2731
• DOI: 10.1016/S0040-6090(98)00567-7

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.