In:
Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 41, No. 2 ( 2008-04-01), p. 262-271
Abstract:
Computationally efficient simulations of grazing-incidence X-ray diffraction (GIXD) are discussed, with particular attention given to textured thin polycrystalline films on supporting substrates. A computer program has been developed for simulating scattering from thin films exhibiting varying degrees of preferred orientation. One emphasized common case is that of a `fibre' symmetry axis perpendicular to the sample plane, resulting from crystallites having one well defined crystal facet towards the substrate, but no preferred in-plane orientation. Peak splitting caused by additional scattering from the totally substrate-reflected beam (two-beam approximation) and refraction effects are also included in the program, together with the geometrical intensity corrections associated with GIXD measurements. To achieve `user friendliness' for scientists less familiar with diffraction, the mathematically simplest possible descriptions are sought whenever feasible. The practical use of the program is demonstrated for a selected thin-film example, perylene, which is of relevance for organic electronics.
Type of Medium:
Online Resource
ISSN:
0021-8898
DOI:
10.1107/S0021889808001064
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2008
detail.hit.zdb_id:
2020879-0
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