Indexing of grazing-incidence X-ray diffraction patterns: the case of fibre-textured thin films.

ABSTRACT: Crystal structure solutions from thin films are often performed by grazing-incidence X-ray diffraction (GIXD) experiments. In particular, on isotropic substrates the thin film crystallites grow in a fibre texture showing a well defined crystallographic plane oriented parallel to the substrate surface with random in-plane order of the microcrystallites forming the film. In the present work, analytical mathematical expressions are derived for indexing experimental diffraction patterns, a highly challenging task which hitherto mainly relied on trial-and-error approaches. The six lattice constants a, b, c, α, β and γ of the crystallographic unit cell are thereby determined, as well as the rotation parameters due to the unknown preferred orientation of the crystals with respect to the substrate

SUBMITTER: Simbrunner J 

PROVIDER: S-EPMC6038360 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature