Anharmonic High-Order EXAFS Cumulants of Cadmium Metal Affected by Thermal and Structural Disorders

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Abstract The anharmonic high-order extended X-ray absorption fine structure (EXAFS) cumulants of cadmium metal (Cd) are theoretically investigated, accounting for the combined effects of thermal and structural disorder. The formulation is developed within quantum statistical theory using a first-order perturbation treatment. In this approach, the correlated Einstein model is combined with an anharmonic effective potential to describe interatomic interactions. The resulting thermodynamic EXAFS quantities include both correlation and anharmonic contributions and explicitly account for the influence of nearest-neighbor atoms in the absorber–backscatterer pair. Temperature-dependent analytical expressions are obtained and are valid in both low- and high-temperature regimes. Numerical results for Cd show good agreement with available experimental data and other theoretical models in the temperature range 0–500 K. These results demonstrate that the present framework can effectively analyze anharmonic high-order EXAFS cumulants in thermally disordered metals and structurally distorted systems.

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