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Anharmonicity of β-AgI Studied by the Cumulant Expansion of EXAFS

EXAFS at the Ag K edge of β-AgI has been measured and analyzed in terms of cumulants in the temperature interval T=23\div410 K. Tests on EXAFS simulated from excluded-volume model distributions have shown that the cumulant series of the Ag–I distance distribution is convergent. The polynomial coefficients extracted from EXAFS analysis reproduce the exact cumulants only below 300 K The distributions obtained from the cumulants are in agreement with the excluded-volume model. The 1st-shell second cumulant (Mean Square Relative Displacement) is largely insensitive to anharmonicity as a consequence of the high degree of correlation of atomic motion.