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Temperature dependence of the correlation function in EXAFS spectra: Application to Cu-Ag alloys
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Abstract
Correlation ratios between the mean square displacement (MSD), mean square relative displacement (MSRD), and correlated displacement function were studied in extended X-ray absorption fine structure spectra (EXAFS). The expressions of MSD, MSRD, and correlation function were determined using Debye models. Hardy problems due to many-particles effects were considered and replaced by a calculation based on the effective anharmonic potential, including the interaction of absorbing and scattering atoms with their nearest neighbours atoms. Based on the Debye-Waller factor, the difference between MSRD and MRD was analyzed, and their ratios have calculated. The methods were applied to fcc crystals and their alloys. Numerical results for Cu, Ag crystals and CuAg50 alloys agreed with experimental values and other studies.
Title: Temperature dependence of the correlation function in EXAFS spectra: Application to Cu-Ag alloys
Description:
Abstract
Correlation ratios between the mean square displacement (MSD), mean square relative displacement (MSRD), and correlated displacement function were studied in extended X-ray absorption fine structure spectra (EXAFS).
The expressions of MSD, MSRD, and correlation function were determined using Debye models.
Hardy problems due to many-particles effects were considered and replaced by a calculation based on the effective anharmonic potential, including the interaction of absorbing and scattering atoms with their nearest neighbours atoms.
Based on the Debye-Waller factor, the difference between MSRD and MRD was analyzed, and their ratios have calculated.
The methods were applied to fcc crystals and their alloys.
Numerical results for Cu, Ag crystals and CuAg50 alloys agreed with experimental values and other studies.
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