Journal
JOURNAL OF SYNCHROTRON RADIATION
Volume 13, Issue -, Pages 321-325Publisher
BLACKWELL PUBLISHING
DOI: 10.1107/S0909049506018504
Keywords
EXAFS; thermal disorder; mean-square relative displacements; Einstein model; Debye model
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The correlated Einstein and Debye models for EXAFS parallel mean-square relative displacement (MSRD) are derived from the general expression in terms of eigenfrequencies and eigenvectors of the dynamical matrix, without ad hoc assumptions. The two models are generalized to parameterize also the EXAFS perpendicular MSRD. The physical meaning of Einstein frequencies, as well as the application of the Debye model to crystals with more than one atom per cell, are critically discussed.
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