Comparison of FEFF9 results of metallic niobium and niobium oxides to EELS

Abstract

FEFF 9, using the full multiple scattering theory, is used in order to model electron energy-loss near-edge structure for Nb and the Nb oxides. This study explores the basic functions of FEFF 9 code, as well as some of its features including the concepts of convergence and the effect of core holes. It also goes on to show how the results of FEFF 9 compare with actual experimental EELS results. Although FEFF 9 is not as accurate as DFT calculations when used properly it can provide much faster results that are comparable to those obtained by DFT.