Analysis of Extended X-ray Absorption Fine Structure by Sparse Modeling

Abstract

  In this article, we introduce a method for EXAFS (extended X-ray absorption fine structures) data by integrating sparse modeling and Bayesian inference. This method enables EXAFS analysis with only elemental species information without prior crystal structure information. In addition, since it is based on the two-body multiple scattering theory, the interatomic distance can be correctly estimated. Finally, based on the Bayesian estimation framework, it has a high noise tolerance. This method is expected to be a new development because it enables estimation of local structure in thin film samples, which has been difficult with conventional methods.