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Title: Investigation of surface termination by directional elastic peak electron spectroscopy: Experiment and theory

Experimental and theoretical details concerning the directional elastic peak electron spectroscopy are presented. The application of this experimental method to the identification of a crystalline structure of surface layers is shown for Cu(111) and Ru(0001), which enables the analysis of different surface terminations associated with different sequences of atoms along the surface normal. Theoretical data are obtained by applying the multiple scattering theory and different sources of phase shifts. The quantitative analysis performed by an R-factor reveals almost the same populations of A and B terminated (0001) terraces and proves explicitly the presence of steps of atomic height on the clean Ru(0001) surface. This is not the case for the Cu(111) surface, where the terrace termination does not affect the distribution of atomic directions within the first few atomic layers. The averaging of theoretical data versus scattering volume defined by the sphere radius R{sub max} around the emitter site is discussed in view of the computation time optimization. - Highlights: • We examined the structure and surface termination of fcc and hcp monocrystals. • Crystalline structure within the first few atomic layers was determined by DEPES. • Multiple scattering formalism was used to obtain theoretical results. • Populations of terracesmore » with different terminations were determined. • Scattering parameters are discussed in the context of computation time optimization.« less
Authors:
; ;  [1] ;  [2] ;  [1]
  1. Institute of Experimental Physics, University of Wrocław, pl. Maxa Borna 9, 50-204 Wrocław (Poland)
  2. Solid State Physics Department, University of Łódź, ul. Pomorska 149/153, 90-236 Łódź (Poland)
Publication Date:
OSTI Identifier:
22340383
Resource Type:
Journal Article
Resource Relation:
Journal Name: Materials Characterization; Journal Volume: 93; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CALCULATION METHODS; ELECTRON SPECTROSCOPY; ELECTRONS; FCC LATTICES; HCP LATTICES; LAYERS; MONOCRYSTALS; MULTIPLE SCATTERING; PEAKS; RUTHENIUM; SURFACES