Methods for ELNES-quantification: characterization of the degree of inversion of Mg-Al-spinels

The energy loss near-edge structures in electron energy-loss spectra contain information about bonding characteristics, the electronic structure and coordinations of the excited atoms. We have calculated sets of reference spectra for the normal and for the inverse Mg-Al-spinel using a full multiple scattering approach. By a quantitative comparison of these reference spectra with experimental data ELNES-quantification becomes possible. We characterized the degree of inversion lambda by the analysis of the relative peak-intensities and the relative peak-positions within 35 eV beyond the edge onset. The results demonstrate that by using the provided methods ELNES-quantification will become possible when uncertainties in the experiment are reduced and a better fit of the simulations to the experiment is achieved.