Multiple Scattering Calculation of Absorption Spectrum and Diffraction Calculation: Application to Nanometer Scale Copper Metallic Particle

摘要

XAFS spectroscopy is a very efficient tool to describe local organisation and to determine the size and the lattice of nanometric metallic particles which are major information regarding their electronic properties. Nevertheless, good accuracy is hard to obtain. In order to evaluate the sensitivity of XANES (X-ray Absorption Near Edge Structure) and WAXS (Wide Angle X-ray Scattering) techniques versus these structural parameters, different multiple scattering (M.S.) calculations using either the NATOLI's code or the REHR's code have been performed for very small metallic clusters of copper.