Research Data Leeds Repository

Dataset for 'Strain-Relief by Single Dislocation Loops in Calcite Crystals Grown on Self-Assembled Monolayers'

Kim, Yi-Yeoun (2016) Dataset for 'Strain-Relief by Single Dislocation Loops in Calcite Crystals Grown on Self-Assembled Monolayers'. University of Leeds. [Dataset] https://doi.org/10.5518/53

Dataset description

Most of our knowledge of dislocation mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here, we use Bragg Coherent Diffraction Imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualise the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field arising from interfacial defects and the nanoscale r oughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.

Subjects:	F000 - Physical sciences > F100 - Chemistry
Divisions:	Faculty of Engineering and Physical Sciences > School of Chemistry
Related resources:	Location Type http://doi.org/10.1038/ncomms11878 Publication http://eprints.whiterose.ac.uk/99556/ Publication
License:	Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited:	21 Jun 2016 11:04
URI:	http://archive.researchdata.leeds.ac.uk/id/eprint/54
Additional details Additional details Creators: Creators ORCID Other ID Email Primary affiliation Primary affiliation ID Primary affiliation ID type Secondary affiliation Secondary affiliation ID Secondary affiliation ID type Kim, Yi-Yeoun https://orcid.org/0000-0002-8503-4554 Type of data: Dataset Research funders: EPSRC Grant numbers: EP/H005374/1, EP/K006304/1, EP/I001514/1 Publication date: 2016 Resource language: English Metadata language: English Publisher: University of Leeds Contact Email Address: Y.Y.Kim@leeds.ac.uk Last Modified: 21 Jun 2016 22:45

Files

Data

supplementary information [574kB] supplementary information [574kB] supplementary information [574kB] Visible to: Anyone File name: Supplementary_Information.pdf Content type: Data Description: supplementary information Mime-Type: application/pdf License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 574kB

COMSOL data [372kB] COMSOL data [372kB] COMSOL data [372kB] Visible to: Anyone File name: calcitetet.mph Content type: Data Description: Finite element method analysis of the straininduced in a developing tetrahedral calcite in supplementary figure 3 License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 372kB

COMSOL data [507kB] COMSOL data [507kB] COMSOL data [507kB] Visible to: Anyone File name: calcitetetcut.mph Content type: Data Description: Calculated stress distribution inside a calcite tetrahedron caused by an interfacial stress. The von Mises stress distribution is shown in vertical slices through the crystal. figure 5b License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 507kB

Movie_crystal 1: i-Amplitude [1MB] Movie_crystal 1: i-Amplitude [1MB] Movie_crystal 1: i-Amplitude [1MB] Visible to: Anyone File name: movie_crystal1_i-Amplitude.mpg Content type: Data Description: The electron density, projected displacement and iso-surface rendering of the defects present within oriented calcite crystal (i) as shown in Figure 2 and Figure 4. The defects are highlighted in a transparent projection of the electron density. Mime-Type: video/mpeg License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Movie_crystal 1: i-Dislocation [1MB] Movie_crystal 1: i-Dislocation [1MB] Movie_crystal 1: i-Dislocation [1MB] Visible to: Anyone File name: movie_crystal1_i-Dislocation.mpg Content type: Data Description: The electron density, projected displacement and iso-surface rendering of the defects present within oriented calcite crystal (i) as shown in Figure 2 and Figure 4. The defects are highlighted in a transparent projection of the electron density. Mime-Type: video/mpeg License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Movie_crystal 1: i-Phase [1MB] Movie_crystal 1: i-Phase [1MB] Movie_crystal 1: i-Phase [1MB] Visible to: Anyone File name: movie_crystal1_i-Phase.mpg Content type: Data Description: The electron density, projected displacement and iso-surface rendering of the defects present within oriented calcite crystal (i) as shown in Figure 2 and Figure 4. The defects are highlighted in a transparent projection of the electron density. Mime-Type: video/mpeg License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Movie_crystal 2: i-Amplitude [1MB] Movie_crystal 2: i-Amplitude [1MB] Movie_crystal 2: i-Amplitude [1MB] Visible to: Anyone File name: movie_crystal2_ii-Amplitude.mpg Content type: Data Description: The electron density, projected displacement and iso-surface rendering of the defects present within oriented calcite crystal (ii) as shown in Figure 2 and Figure 4. The defects are highlighted in a transparent projection of the electron density. Mime-Type: video/mpeg License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Movie_crystal 2: i-Dislocation [1MB] Movie_crystal 2: i-Dislocation [1MB] Movie_crystal 2: i-Dislocation [1MB] Visible to: Anyone File name: movie_crystal2_ii-Dislocation.mpg Content type: Data Description: The electron density, projected displacement and iso-surface rendering of the defects present within oriented calcite crystal (ii) as shown in Figure 2 and Figure 4. The defects are highlighted in a transparent projection of the electron density. Mime-Type: video/mpeg License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

Movie_crystal 2: i-Phase [1MB] Movie_crystal 2: i-Phase [1MB] Movie_crystal 2: i-Phase [1MB] Visible to: Anyone File name: movie_crystal2_ii-Phase.mpg Content type: Data Description: The electron density, projected displacement and iso-surface rendering of the defects present within oriented calcite crystal (ii) as shown in Figure 2 and Figure 4. The defects are highlighted in a transparent projection of the electron density. Mime-Type: video/mpeg License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 1MB

crystal 1 [44MB] crystal 1 [44MB] crystal 1 [44MB] Visible to: Anyone File name: crystal1.zip Content type: Data Description: Crystal1 - uses data files 388 and 391. the background subtracted from them (bg-388). Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 44MB

crystal 2 [19MB] crystal 2 [19MB] crystal 2 [19MB] Visible to: Anyone File name: crystal2.zip Content type: Data Description: Crystal2 - uses data file 344 and has an associated background file bg-344. Mime-Type: application/zip License: Creative Commons Attribution 4.0 International (CC BY 4.0) File size: 19MB