Ab-Initio Simulation Laboratory

Citation:

Chang, C. Y., Hong I. H., Chou Y. C., & Wei C. M. (2001).  Atomic structures by direct transform of diffraction patterns. Journal of Physics and Chemistry of Solids. 62, 1777-1788., Sep-Oct, Number 9-10

Abstract:

We propose all the diffraction patterns can be directly transformed to provide three-dimensional atomic structures for the system studied. Depending on the scattering process, either the holography or Patterson transform scheme is used. For diffraction patterns which are generated from a localized emitter source or dominated by an inelastic-scattering feature like core-level photoelectron or low-energy Kikuchi electron, holography transform is needed. On the other hand, for diffraction patterns which were dominated by elastic-scattering, like grazing-incidence X-ray diffraction, electron correlated thermal diffuse scattering or low-energy electron diffraction curves, Patterson transform is needed. To prove our point, high-fidelity and artifact-free three-dimensional atomic structures obtained by transform of low-energy Kikuchi electron patterns and low-energy electron diffraction curves are presented. The future of these direct methods by transforming diffraction patterns will be discussed. (C) 2001 Elsevier Science Ltd. All rights reserved.

Notes:

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