Reverse Monte Carlo modeling of thermal disorder in crystalline materials from EXAFS spectra

a r t i c l e i n f o a b s t r a c t Keywords: Reverse Monte Carlo EXAFS Wavelet analysis Germanium Rhenium trioxide In this work we present the Reverse Monte Carlo (RMC) modeling scheme, designed to probe the local structural and thermal disorder in crystalline materials by fitting the wavelet transform (WT) of the EXAFS signal. Application of the method to the analysis of the Ge K-edge and Re L 3-edge EXAFS signals in crystalline germanium and rhenium trioxide, respectively, is presented with special attention to the problem of thermal disorder and related phenomena.