Publication
Title
Improved multislice calculations for including higher-order Laue zones effects
Author
Abstract
A new method for including higher-order Laue zones (HOLZs) effects in an efficient way in electron scattering simulations has been developed and tested by detail calculations. The calculated results by the conventional multislice (CMS) method and the improved conventional multislice (ICMS) method using a large dynamical aperture to avoid numerical errors are compared with accurate results. We have found that the zero-order Laue zones (ZOLZs) reflection cannot be properly described only using the projected potential in the whole unit cell; in general, we need to subslice the electrostatic potential inside the unit cell. It is shown that the ICMS method has higher accuracy than the CMS method for the calculation of the ZOLZ, HOLZ and Pseudo-HOLZ reflections. Hence, ICMS method allows to use a larger slice thickness than the CMS method and reduces the calculation time. (C) 2012 Elsevier B.V. All rights reserved.
Language
English
Source (journal)
Ultramicroscopy. - Amsterdam
Publication
Amsterdam : 2012
ISSN
0304-3991
Volume/pages
119(2012), p. 63-71
ISI
000308079200011
Full text (Publishers DOI)
Full text (publishers version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 22.11.2012
Last edited 14.04.2017
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