Abstract
Reported here are expressions temperature dependence under pressure effects for the mean square displacement, the mean square relative displacement, the correlation displacement function of atoms, and the ratio of the relationship between the quantities due to anharmonicity under pressure effects in extended x-ray absorption fine structure spectra. The expressions are determined using the anharmonic correlated Debye model and the anharmonic Debye model. Complicated calculations due to the many-particle effects and anharmonic properties are replaced by a calculation based on the effective anharmonic potential, including the interaction of absorbing and scattering atoms with their nearest-neighbour atoms. Based on the Debye–Waller factor, the difference between the mean square relative displacement and mean square displacement is analyzed, and their ratios are calculated. This work is applied to face-centered cubic crystals and their alloys. Numerical results for copper (Cu-Cu), silver (Ag-Ag) crystals and copper–silver alloys CuxAg1−x agree with experimental values and other studies.
Published Version
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