✍ Scribed by Nguyen Van Hung; Nguyen Bao Trung; Barbara Kirchner
No coin nor oath required. For personal study only.
Anharmonic correlated Debye model has been derived for calculation and analysis of extended X-ray absorption fine structure (EXAFS) cumulants using an anharmonic effective potential that takes into account all nearest neighbor interactions of absorber and backscattering atoms. Dispersion relation has been considered, and anharmonic effects are included based on cumulant expansion. Analytical expressions for the first, second, third, and fourth EXAFS cumulants have been derived. They contain anharmonic effective potential parameters. Numerical calculations have been applied to Cu, where Morse potential is used to characterize the interaction between each pair of atoms. The results are found to be in good agreement with experiment.
📜 SIMILAR VOLUMES
In this work we have developed a new approach to include both spherical wave correction and anharmonic vibration effects. The spherical wave correction disappears for large kR limit, but the plane wave part has already spherical wave effects of photoelectron scattering in this formula.