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We have studied the theory of the X-ray diffraction (XRD) absorption peak profile (Liu, K. et al., Adv X-ray Anal, 2010, 54, 17-23) in detail by further theoretical derivation and by verification of the experimental line profile of a standard sample. It was obtained that the deviation between theory and experiment is less than 9% for the standard samples, by ignoring the line profiles in the range of diffraction angle less than 60°, for which the instrumental broadening could not be ignored. And the theoretical formula between FWHM and the Bragg angle 2θ was derived which can be called as the ARF. The results show that the Caglioti's relations should be replaced by the formula derived in this work.

The theory of the line profile based on the absorption of X-ray diffraction and its experimental demonstration