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

Chúng tôi vui mừng thông báo rằng TS. Lê Duy Mạnh và các đồng nghiệp đã xuất bản công trình có tựa đề “Temperature-dependent X-ray absorption fine structure Debye–Waller factor of Pb influenced by thermal disorder” trên tạp chí Spectroscopy Letters.

Tóm tắt:

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.