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Data for Structure of strained low-dimensional Sb by in situ surface X-ray diffraction

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Mousley, Philip J., Burrows, Christopher W., Nicklin, Chris and Bell, Gavin R. (2022) Data for Structure of strained low-dimensional Sb by in situ surface X-ray diffraction. [Dataset]

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Abstract

Antimony ultrathin films in tensile strain are grown on InAs(111)B substrates and studied in situ using surface X‐ray diffraction. The detailed atomic structures of two highly crystalline Sb(0001) films are derived, with thicknesses of 19 and 4 bilayers. Features considered in structural modeling include interfacial intermixing, surface roughness, individual layer relaxations, and rotational twin domains (RTDs). The four‐bilayer film shows significant structural relaxation in every layer, while both films include RTDs. The results are discussed in relation to the topological properties of low‐dimensional Sb.

Item Type: Dataset
Subjects: Q Science > QC Physics
Q Science > QD Chemistry
Divisions: Faculty of Science, Engineering and Medicine > Science > Physics
Type of Data: crystallographic
Library of Congress Subject Headings (LCSH): Antimony, Crystallography, X-rays -- Diffraction, Thin films, Domain structure
Publisher: Physics, University of Warwick
Official Date: 21 April 2022
Dates:
DateEvent
21 July 2021Created
21 April 2022Available
21 April 2022Published
Status: Not Peer Reviewed
Publication Status: Published
Media of Output: .bul, .dat, .fit, .par
Access rights to Published version: Open Access
Copyright Holders: University of Warwick
Description:

There are three subfolders, one for each sample:
S1a= Sample 1a- InAs(111)B substrate with some Sb substition on As top sites
S1c= Sample 1c- 19 Bilayers of Sb on top of InAs(111)B substrate
S2b = Sample 2b- 4 Bilayers of Sb on top of InAs(111)B substrate
Included in each folder are the four files required to load each individual fit
___.bul = the bulk model of the substrate used in experiment
___.fit = the fit file with the model of the thin Sb films, and including substrate layers used for the fitting
___.dat = reduced SXRD dataset for the sample
___.par = parameter file of the best fit structure
Loading these four files into the ROD fitting program (https://www.esrf.fr/computing/scientific/joint_projects/ANA-ROD/) will show the SXRD fits reported in the paper.
Also included are:
___.xyz = structure file of the final fit model
comp___.lis= comparison file comparing the theoretical and measured structure factors
fitresult_####.txt = output given by ROD when running a fitting cycle with the model loaded in

RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
SI13769Diamond Light Sourcehttp://dx.doi.org/10.13039/100011889
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Contributors:
ContributionNameContributor ID
DepositorBell, Gavin R.776

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