Define expressions to calculate cumulants and thermodynamic parameters of cubic crystals structure by the effective anharmonic correlated Einstein model in XAFS spectra.
DOI:
https://doi.org/10.51453/2354-1431/2016/127Keywords:
anharmonic, XAFS, cumulants, thermodynamic, parameters.Abstract
By using potential effective interaction in the anharmonic correlated Einstein model on the basis of quantum statistical theory with phonon interaction procedure, the expressions describing asymmetric component (cumulants) and thermodynamic parameters including the anharmonic effects contributions and by new structural parameters of cubic crystals has been formulated. This new parameters describing the distribution of atoms. The expansion of cumulants and thermodynamic parameters through new structural parameters has been performed.
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