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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