Formula for the asymmetric diffraction peak profiles based on double Soller slit geometry

Abstract

The asymmetric diffraction peak profiles and peak shift of conventional powder diffractometry systems caused by the angular divergence along the vertical axis are reproduced by asymmetrized peak profile functions. The asymmetrization is achieved by convoluting the angular dispersions of both incident and scattered beams along the vertical axis. A general method for mapping vertical window functions to the horizontal direction is proposed, and the formulas of two types of horizontal window functions mapped from symmetric double vertical Bartlett (triangular) and Gaussian window functions are presented. Both formulas incorporate a single asymmetry parameter connected with the open width of the Soller slits along the vertical direction. When experimental diffraction peak profiles are fitted by asymmetrized pseudo-Voigt functions, the asymmetry parameter gives good coincidence with the Soller slit angle, which is clearly specified in a given diffractometer.