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On the sensitivity of convergent beam low energy electron diffraction patterns to small atomic displacements

Constantinou, Procopios C. and Jesson, David E. ORCID: https://orcid.org/0000-0003-0897-1445 2019. On the sensitivity of convergent beam low energy electron diffraction patterns to small atomic displacements. Applied Surface Science 489 , pp. 504-509. 10.1016/j.apsusc.2019.05.274

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Abstract

Multiple scattering simulations are developed and applied to assess the potential of convergent beam low-energy electron diffraction (CBLEED) to distinguish between various reconstructions of the Si(001) surface. This is found to be readily achievable through changes in pattern symmetry. A displacement R-factor approach is used to incorporate the angular content of CBLEED discs and identify optimal energy ranges for structure refinement. Defining a disc R-factor, optimal diffraction orders are identified which demonstrate an enhanced sensitivity to small atomic displacements. Using this approach, it was found that respective dimer height and length displacements as small as ±0.06 Å and ±0.20 Å could be detected.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Physics and Astronomy
Publisher: Elsevier
ISSN: 0169-4332
Date of First Compliant Deposit: 28 May 2019
Date of Acceptance: 23 May 2019
Last Modified: 04 May 2023 22:49
URI: https://orca.cardiff.ac.uk/id/eprint/122891

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