Comparison of the relative merits of techniques for the modelling of electron energy loss near edge structure (ELNES)

摘要

The C K-edge spectra of stoichiometric and sub-stoichiometric titanium carbides together with a series of titanium carbonitrides have been modelled using both multiple scattering and band structure methods. The results of these calculations using the ICXANES, FEFF8 and WIEN97 codes have been assessed and compared with the experimental edges measured by STEM/PEELS.