Short-Range Structure in Solid and Liquid Matter Using Multiple-Edge EXAFS Refinement

Abstract
A novel data-analysis approach for simultaneous analysis of EXAFS (Extended X-ray Absorption Fine Structure) spectra recorded at different core-level edges in monatomic and multiatomic systems is presented. This approach is based on the ab initio multiple-scattering GNXAS method and allows to perform a multiple-edge refinement of the local structure. The usefulness of the method for structural analysis of monatomic and binary liquids is discussed. Applications on K and L edges of solid and liquid Sn and RbBr are reported. The short-range pair distribution g(r) is accurately determined and compared with previous diffraction and molecular-dynamics results.