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New algorithm for efficient Bloch-waves calculations of orientation-sensitive ELNES
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2013 (English)In: Ultramicroscopy, ISSN 0304-3991, E-ISSN 1879-2723, Vol. 125, 81-88 p.Article in journal (Refereed) Published
Abstract [en]

We discuss in detail the Bloch waves method for the calculation of energy and orientation dependent scattering cross-section for inelastic scattering of electrons on crystals. Convergence properties are investigated and a new algorithm with superior timing and accuracy is described. The new method is applied to calculations of intensity of weakly excited spots, maps of magnetic signal, and tilt series from zone axis orientation towards three-beam orientation.

Place, publisher, year, edition, pages
2013. Vol. 125, 81-88 p.
Keyword [en]
Transmission electron microscopy, Density functional theory, Dynamical diffraction theory, Bloch waves, Electron magnetic circular dichroism
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:uu:diva-197122DOI: 10.1016/j.ultramic.2012.09.009ISI: 000314679700012OAI: oai:DiVA.org:uu-197122DiVA: diva2:611925
Available from: 2013-03-19 Created: 2013-03-18 Last updated: 2017-12-06Bibliographically approved

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Rusz, Jan

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