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Low-energy electron diffraction with signal electron carrier-wave wavenumber modulated by signal exchange-correlation interaction
KTH, School of Engineering Sciences (SCI), Physics, Condensed Matter Theory.ORCID iD: 0000-0002-7023-2603
Department of Physics, Chemistry and Biology, Linköping University, 58183 Linköping, Sweden.ORCID iD: 0000-0002-6281-868X
Department of Earth and Environmental Sciences, Ludwig-Maximilians-University, Theresienstrasse 41, 80333 Munich, Germany.
2021 (English)In: Journal of Physics Communications, ISSN 2399-6528, Vol. 5, no 10, article id 105012Article in journal (Refereed) Published
Abstract [en]

Low-energy electron diffraction (LEED) is considered as elastic electron-atom scattering (EEAS) operating in a target crystal waveguide, where a signal electron carrier wave is wavenumber modulated by signal exchange-correlation (XC) interaction. A carrier potential is designed using a KKR (Korringa-Kohn-Rostoker) muffin-tin (MT) model built on overlapping MT spheres that implement atoms with double degree of freedom, radius and potential level. An XC potential is constructed using Sernelius’s many-particle theory on electron self-energy. EEAS phase shifts are derived from Dirac’s differential equations, and four recent LEED investigations are recalculated: Cu(111) + (3 √ 3 × √ 3) R30°-TMB, TMB = 1,3,5-tris(4-mercaptophenyl)-benzene with chemical formula C24H15S3; Ag(111) + (4 × 4)-O; Ag(111) + (7 × √ 3)rect-SO4; and Ru(0001) + ( √ 3 × √ 3)R30°-Cl. Our EEAS phase shifts generate substantially improved reliability factors, and we report the first confirmation of electron self-energy by LEED experiment. 

Place, publisher, year, edition, pages
IOP Publishing , 2021. Vol. 5, no 10, article id 105012
Keywords [en]
Elastic electron-atom scattering in solids and surface slabs, Low-energy electron diffraction, Signal electron exchange-correlation interaction, Signal electron self-energy in solids, Surface physics
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-313154DOI: 10.1088/2399-6528/ac2c31ISI: 000707211600001Scopus ID: 2-s2.0-85118323938OAI: oai:DiVA.org:kth-313154DiVA, id: diva2:1665299
Note

QC 20220607

Available from: 2022-06-07 Created: 2022-06-07 Last updated: 2024-01-09Bibliographically approved

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Rundgren, John

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