Title
Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)
Author
Faculty/Department
Faculty of Sciences. Physics
Research group
Electron microscopy for materials research (EMAT)
Publication type
article
Publication
Lancaster, Pa,
Subject
Physics
Source (journal)
Physical review : B : condensed matter and materials physics. - Lancaster, Pa, 1998 - 2015
Volume/pages
83(2011):11, p. 115437,1-115437,8
ISSN
1098-0121
ISI
000288594500005
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
A computational method is presented for angle-resolved photoemission spectra (ARPES) and photoelectron diffraction (PED) in the ultraviolet regime. The one-step model is employed and both initial valence and final continuum states are calculated using the finite-cluster, real-space multiple scattering method. Thereby the approach is versatile and provides a natural link to core-level PED. The method is applied to the Cu(111) valence band and good agreement with experiment is found for both ARPES spectra and PED patterns. When the PED patterns are integrated over a filled band of a single-orbital symmetry, such as Cu-3d, we show, both numerically and analytically, that the exact theory with delocalized initial states can be replaced by the much simpler, core-level-type theory where the initial states are taken as localized.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/61c5b9/2daa617a.pdf
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