The correlated Einstein model for EXAFS parallel and perpendicular meansquare 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.
On the Einstein model for EXAFS parallel and perpendicular Mean-Square Relative Displacements
SANSON, ANDREA
2008
Abstract
The correlated Einstein model for EXAFS parallel and perpendicular meansquare 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.File in questo prodotto:
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