Abstract
X-ray absorption spectroscopy (XAS) is an ideal technique for the investigation of the local structure in materials and in particular around dopant species in semiconducting crystals. This experimental technique permits the quantitative determination of structural parameters such as the bond distances and number of neighbors that are fundamental for understanding the incorporation site of the dopant in the matrix. The use of ab initio advanced methods for the simulation of atomic structures or XAS spectra has recently permitted a more complete interpretation of experimental data. Examples on the use of joint theoretical/experimental methods are given here as well as some perspectives for the future development of XAS data analysis.
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