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arxiv: cond-mat/0702679 · v1 · pith:XA36CQWGnew · submitted 2007-02-28 · ❄️ cond-mat.other

Crystal truncation rods in kinematical and dynamical x-ray diffraction theories

classification ❄️ cond-mat.other
keywords crystaldynamicaltruncationcalculationskinematicalreflectionsrodsaccuracy
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Crystal truncation rods calculated in the kinematical approximation are shown to quantitatively agree with the sum of the diffracted waves obtained in the two-beam dynamical calculations for different reflections along the rod. The choice and the number of these reflections are specified. The agreement extends down to at least $\sim 10^{-7}$ of the peak intensity. For lower intensities, the accuracy of dynamical calculations is limited by truncation of the electron density at a mathematically planar surface, arising from the Fourier series expansion of the crystal polarizability.

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