XAFS and thermal averaging

E. A. Stern

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XAFS measures p(r), the distribution of the magnitude r of the relative vector displacement r̄ between a center probe atom and its neighbors. The related p(r̄) of the distribution of the vector distance between the probe atom and its neighbors defines a pair potential V(r̄) which is thermally averaged over the position of all of the other atoms in the material being investigated. It is shown that there are subtle differences between p(r) and p(r̄) which lead to a new correction term to XAFS measurements necessary to obtain the correct thermal expansion of interatomic distances. Besides measuring p(r), XAFS allows the determination of both p(r̄) and V(r̄) which include σ2 in addition to the usual σ2z, the mean squared vibrational disorder perpendicular and along the line between the average position of the pair of atoms, respectively.

Original languageEnglish
Pages (from-to)C2-137-C2-140
JournalJournal De Physique. IV : JP
Issue number2 Part 1
StatePublished - 1997
Externally publishedYes


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