Temperature-dependent X-ray absorption fine structure Debye–Waller factor of Pb influenced by thermal disorder

We are happy to announce that Dr. Le Duy Manh and colleagues recently published their work entitled “Temperature-dependent X-ray absorption fine structure Debye–Waller factor of Pb influenced by thermal disorder” in the Spectroscopy Letters.

Abstract:

The temperature-dependent Debye–Waller (DW) factor in the X-ray absorption fine structure (XAFS) of lead (Pb) metal has been studied under the influence of thermal disorder. This factor is calculated explicitly based on the many-body perturbation approach, utilizing the correlated Debye model and anharmonic effective potential. The thermodynamic parameters of Pb have been regarded as the phonon dispersion relations and the quantum and anharmonic effects. The numerical results for Pb in the temperature range of 0–600 K fit well with those obtained from the experimental data and the fitting data. Furthermore, a good agreement has also been observed between the theoretical and experimental Fourier transform magnitudes |χ(R)| derived from the k²-weighted XAFS spectra, particularly around the first-shell peak position. The obtained results indicate that the present calculation model can efficiently study the anharmonic XAFS DW factor of Pb in temperature dependence.