| Literature DB >> 32356781 |
Antonio Cervellino1, Ruggero Frison2.
Abstract
Many functional materials are today synthesized in the form of nanoparticles displaying preferred orientation effects to some small or large extent. The analysis of diffraction data of such kinds of systems is best performed in the framework of the total scattering approach that prescinds from translation symmetry assumptions. Therefore modified expressions were derived for the most common total scattering functions, in particular the Debye scattering equation (DSE) which yields the texture-averaged differential cross section as a function of atomic coordinates and texture parameters. The modified DSE encodes higher-order even spherical Bessel functions which account for the texture effect. Selection rules arising from experimental geometries and symmetries are discussed. In addition the duality of the texture effect is introduced showing the effects of texture on both the I(Q) and {\cal{G}}(r). The paper includes several definitions and appendices which are meant to be useful for those involved in the development of crystallographic computing.Keywords: Debye scattering equation; pair distribution function; texture
Year: 2020 PMID: 32356781 PMCID: PMC7233016 DOI: 10.1107/S2053273320002521
Source DB: PubMed Journal: Acta Crystallogr A Found Adv ISSN: 2053-2733 Impact factor: 2.290