Determination of partial pair distribution functions in amorphous Ge15Te85 by simultaneous RMC simulation of diffraction and EXAFS data

Short-range order of Cu–Zr metallic glasses

“…Thus, the partial pair correlation functions can be obtained from the model atomic configurations by fitting the experimental data with RMC. The details of the RMC simulation technique can be found elsewhere [25,[32][33][34]. It has been shown in several studies that due to its elementspecificity EXAFS is very useful for the RMC modeling of non-crystalline substances, where partial pair correlation functions cannot be separated merely on the basis of diffraction information [32][33][34].…”

“…The details of the RMC simulation technique can be found elsewhere [25,[32][33][34]. It has been shown in several studies that due to its elementspecificity EXAFS is very useful for the RMC modeling of non-crystalline substances, where partial pair correlation functions cannot be separated merely on the basis of diffraction information [32][33][34]. For example, the interference part of the Zr K-edge EXAFS data, Zr (k) is sensitive only to Zr-Cu and Zr-Zr correlations [35]:…”

Determination of the crystallization kinetic parameters of Ge22.5Te77.5 glass using model-free and model-fitting methods

“…Different techniques have been used to study the structural [5][6][7][8], electrical [9,10] and optical [11][12][13] properties of amorphous Ge-Te glasses. While, the crystallization kinetics of amorphous Ge-Te glasses were studied using the differential scanning calorimetry, DSC, technique under non-isothermal conditions by many authors [14][15][16].…”

Structure of GeSe4–In and GeSe5–In glasses

“…This approximation proved to be adequate far above the absorption edge (k ≥ 4.5 Å -1 or about 80-85 eV above the edge) where the contribution of multiple scattering processes to EXAFS spectra becomes negligible (see e.g. [33]). The absorber-backscatterer distance was changed in 0.1 Å steps.…”

“…For more details 6 of fitting simultaneously diffraction and EXAFS datasets with the reverse Monte Carlo method we refer to some recent publications [30,33,34]. …”