This web-page is a home for a novel simulation-based scheme, developed to probe the local structural and thermal disorder in crystalline and nanocrystalline materials by analyzing fine structure of X-ray absorption spectra (EXAFS). We believe that the proposed method improves the accuracy of currently available approaches for EXAFS analysis, especially in the case of strongly distorted local environment. The method is implemented in freely available EvAX code (see Downloads section).Read More
Multiple-scattering effects To benefit from structural information, hidden in the contribution of multiple-scattering effects and of distant coordination shells, EvAX code provides great flexibility for treating all important scattering paths with user-specified precision.
Evolutionary algorithm The optimization process that employs the power of evolutionary algorithm allows much more efficient exploration of the possible configuration space and makes feasible advanced analysis of complex compounds with low symmetry even with only decent computational resources available.
Wavelet transform The representation of EXAFS spectra in k- and R-spaces simultaneously using Morlet wavelet transform allows one to obtain more information from the same experimental data and to have much better control over the difference between the experimental and calculated EXAFS data.
Analysis of EXAFS at several edges EvAX code allows to construct an unambiguous single structure model, consistent with EXAFS data, acquired at several absorption edges.