What is it about?
The temperature and wavenumber dependence of the extended X-ray absorption fine-structure (EXAFS) oscillation of hexagonal close-packed (h.c.p.) crystals have been calculated and analyzed under the effect of the non-ideal axial ratio c/a.
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Why is it important?
This theoretical model is essential and effective in improving the accuracy for analyzing the experimental data of anharmonic EXAFS signals of h.c.p. crystals with a non-ideal axial ratio c/a. And it can improve the accuracy of the anharmonic EXAFS data analysis of h.c.p. crystals under the effect of the non-ideal axial ratio c/a based on addition and modification for the calculation toolkit of the FEFF code in the EXAFS data fitting models using the IFEFFIT program suite.
Perspectives
This theoretical model can also be applied to treat other distorted crystals that have low symmetry and isotropy with multiple acoustic phonons.
Tong Sy Tien
University of Fire Fighting and Prevention
Read the Original
This page is a summary of: Effect of the non-ideal axial ratioc/aon anharmonic EXAFS oscillation of h.c.p. crystals, Journal of Synchrotron Radiation, August 2021, International Union of Crystallography,
DOI: 10.1107/s1600577521007256.
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