Low-energy electron diffraction with signal electron carrier-wave wavenumber modulated by signal exchange-correlation interaction

Rundgren, John; Sernelius, Bo E. und Moritz, Wolfgang (2021): Low-energy electron diffraction with signal electron carrier-wave wavenumber modulated by signal exchange-correlation interaction. In: Journal of Physics Communications, Bd. 5, Nr. 10, 105012

Abstract

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 root 3 x root 3) R30 degrees-TMB, TMB = 1,3,5-tris(4-mercaptophenyl)-benzene with chemical formula C24H15S3;Ag(111) + (4 x 4)-O;Ag(111) + (7 x root 3)rect - SO4;and Ru(0001) + (root 3 x root 3)R30 degrees -Cl. Our EEAS phase shifts generate substantially improved reliability factors, and we report the first confirmation of electron self-energy by LEED experiment.

• Dokumententyp: Zeitschriftenartikel
• Fakultät: Geowissenschaften > Department für Geo- und Umweltwissenschaften
• Themengebiete: 500 Naturwissenschaften und Mathematik > 550 Geowissenschaften, Geologie
• ISSN: 2399-6528
• Sprache: Englisch