X-ray line profile analysis—An ideal tool to quantify structural parameters of nanomaterials

Abstract

For a long time the shift and broadening of Bragg profiles have been used to evaluate internal stresses and coherent domain sizes, i.e. the smallest crystalline region without lattice defects. Modern technology provides both enhanced detector resolution and high brilliance x-ray sources thus allowing measurements of x-ray peaks with a high resolution in space and time. In parallel to the hardware, also diffraction theories have been substantially improved so that the shape of Bragg profiles can be quantitatively evaluated not only in terms of the crystallite size and its distribution, but also in terms of the density, type and arrangement of dislocations, twins and stacking faults. Thus state-of-the-art x-ray line profile analysis enables the thorough characterization especially of nanostructured materials which also contain lattice defects. The method can be used also to prove the existence of dislocations in crystalline materials. Examples of nanostructured metals, polymers and even molecular crystals like fullerenes are given.