SIM-RIXS: a program to simulate resonant inelastic X-ray scattering

We have developed a program for simulating resonant inelastic X-ray scattering (RIXS), SIM-RIXS that can be run on personal computerswithaMicrosoftWindowsXP/Vista operating system. RIXS primarily reflects lifetime-broadening-suppressed (LBS) or lifetime-broadening-suppressed state-selective (LBSS) X-ray absorption fine structure (XAFS). SIM-RIXS can convert theoretical LBS/LBSS-XAFS profiles to RIXS spectra, and it can derive an optimal LBS/LBSS-XAFS profile to reproduce experimental RIXS spectra. SIM-RIXS has three basic modules, and each user-friendly graphical user interface enables even novices, who are unfamiliar with RIXS analysis, to use this software. In this software, the first module sets conditions using conventional XAFS data; the second module does the same for conventional X-ray fluorescence data; and the third module is used for RIXS simulation based on the Tulkki-angstrom berg equation. An example of its application to the EuL gamma(4) RIXS of Eu2O3 is presented. SIM-RIXS can readily provide a basic description of the excitation and emission energy dependence of EuL gamma(4) RIXS, elucidating the existence of the 'hidden' peak at 8056 eV in the Eu(III) L-1-XAFS. This demonstrates the usefulness of SIM-RIXS in RIXS analyses. Copyright (C) 2011 John Wiley & Sons, Ltd.