Calculation of total scattering from a crystalline structural model based on experimental optics parameters.

ABSTRACT: Total scattering measurements enable understanding of the structural disorder in crystalline materials by Fourier transformation of the total structure factor, S(Q), where Q is the magnitude of the scattering vector. In this work, the direct calculation of total scattering from a crystalline structural model is proposed. To calculate the total scattering intensity, a suitable Q-broadening function for the diffraction profile is needed because the intensity and the width depend on the optical parameters of the diffraction apparatus, such as the X-ray energy resolution and divergence, and the intrinsic parameters. X-ray total scattering measurements for CeO₂ powder were performed at beamline BL04B2 of the SPring-8 synchrotron radiation facility in Japan

SUBMITTER: Hiroi S 

PROVIDER: S-EPMC7312155 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature