Title
Improved multislice calculations for including higher-order Laue zones effects
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Amsterdam ,
Subject
Chemistry
Source (journal)
Ultramicroscopy. - Amsterdam
Volume/pages
119(2012) , p. 63-71
ISSN
0304-3991
ISI
000308079200011
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
E-info
https://repository.uantwerpen.be/docman/iruaauth/bade2e/8223448.pdf
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000308079200011&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000308079200011&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000308079200011&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848
Handle