On the Einstein model for EXAFS parallel and perpendicular mean-square relative displacements.
The correlated Einstein model for EXAFS parallel and perpendicular mean-square relative displacements (MSRDs) is discussed. By means of dynamical simulations on different crystalline structures, the error owing to the Einstein-fit model on the EXAFS MSRDs is estimated as a function of the standard deviation of the density of vibrational states. This error should be taken into account to improve the accuracy of the MSRDs.
Sanson
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Università degli Studi di Verona, Dipartimento di Informatica, Strada le Grazie 15, I-37134 Verona, Italy. sanson@sci.univr.it