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Article: Multi-slice finite difference method for full potential calculation of low energy electron diffraction spectra

TitleMulti-slice finite difference method for full potential calculation of low energy electron diffraction spectra
Authors
Issue Date2007
PublisherInstitute of Physics Publishing. The Journal's web site is located at http://www.iop.org/Journals/jpcm
Citation
Journal Of Physics Condensed Matter, 2007, v. 19 n. 38 How to Cite?
AbstractWe propose a multi-slice finite difference method for full potential calculation of low energy electron diffraction spectra. This method keeps the accuracy of the original finite difference (FD) method but reduces the required storage memory and computation time by more than two orders of magnitude. The gain in speed and reduction in memory requirement allow, for the first time, full potential LEED spectra calculations to be carried out for many realistic systems. In this method, the unit cell of a crystal is divided into thin slices in the depth direction. The reflection and transmission coefficients of each slice are calculated by the FD method. The final reflectivity of the crystal is obtained by combining contributions from all slices using a simple recurrent formula. © IOP Publishing Ltd.
Persistent Identifierhttp://hdl.handle.net/10722/81088
ISSN
2015 Impact Factor: 2.209
2015 SCImago Journal Rankings: 0.812
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorWu, Hen_HK
dc.contributor.authorWang, Jen_HK
dc.contributor.authorSo, Ren_HK
dc.contributor.authorTong, SYen_HK
dc.date.accessioned2010-09-06T08:13:37Z-
dc.date.available2010-09-06T08:13:37Z-
dc.date.issued2007en_HK
dc.identifier.citationJournal Of Physics Condensed Matter, 2007, v. 19 n. 38en_HK
dc.identifier.issn0953-8984en_HK
dc.identifier.urihttp://hdl.handle.net/10722/81088-
dc.description.abstractWe propose a multi-slice finite difference method for full potential calculation of low energy electron diffraction spectra. This method keeps the accuracy of the original finite difference (FD) method but reduces the required storage memory and computation time by more than two orders of magnitude. The gain in speed and reduction in memory requirement allow, for the first time, full potential LEED spectra calculations to be carried out for many realistic systems. In this method, the unit cell of a crystal is divided into thin slices in the depth direction. The reflection and transmission coefficients of each slice are calculated by the FD method. The final reflectivity of the crystal is obtained by combining contributions from all slices using a simple recurrent formula. © IOP Publishing Ltd.en_HK
dc.languageengen_HK
dc.publisherInstitute of Physics Publishing. The Journal's web site is located at http://www.iop.org/Journals/jpcmen_HK
dc.relation.ispartofJournal of Physics Condensed Matteren_HK
dc.titleMulti-slice finite difference method for full potential calculation of low energy electron diffraction spectraen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0953-8984&volume=19&spage=386203: 1&epage=8&date=2007&atitle=Multi-slice+finite+difference+method+for+full+potential+calculation+of+low+energy+electron+diffraction+spectraen_HK
dc.identifier.emailWu, H: hswu@hkucc.hku.hken_HK
dc.identifier.authorityWu, H=rp00813en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1088/0953-8984/19/38/386203en_HK
dc.identifier.scopuseid_2-s2.0-34548418089en_HK
dc.identifier.hkuros139143en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-34548418089&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume19en_HK
dc.identifier.issue38en_HK
dc.identifier.eissn1361-648X-
dc.identifier.isiWOS:000249255400005-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridWu, H=7405584367en_HK
dc.identifier.scopusauthoridWang, J=8895697000en_HK
dc.identifier.scopusauthoridSo, R=10539096500en_HK
dc.identifier.scopusauthoridTong, SY=24512624800en_HK

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