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000897404 005__ 20211005140832.0
000897404 0247_ $$2doi$$a10.5281/ZENODO.5113449
000897404 037__ $$aFZJ-2021-03770
000897404 041__ $$aEnglish
000897404 1001_ $$0P:(DE-Juel1)177024$$aStrauch, Achim$$b0$$eCorresponding author
000897404 245__ $$aHigh-resolution 4D STEM dataset of SrTiO3 along the [1 0 0] axis at high magnification
000897404 260__ $$c2021
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000897404 520__ $$a<p>This dataset can be used to test various analysis methods for high-resolution 4D STEM, including&nbsp;phase contrast methods such as ptychography. Scan and diffraction coordinates have been calibrated. The high scan magnification allows to identify individual atoms and easily distinguish them from reconstruction artifacts.</p> <p>Data was acquired at a probe-corrected FEI Titan 80-300 STEM operated at 300 kV. The microscope was equipped with a Medipix Merlin for EM detector operated at an acquisition rate for individual diffraction patterns of 1 kHz. The scan size was 128 x 128&nbsp;scan points and the recorded diffraction patterns had a dimension of 256 x 256&nbsp;pixel.</p> <p>The convergence angle of the incident probe was measured with a polycrystalline gold specimen. Employing parallel illumination first, the (111) gold diffraction ring was used to calibrate the diffraction space assuming a lattice constant of gold of 0.4083 nm. With the known wavelength the convergence semi-angle was determined to 22.1 mrad from a Ronchigram recorded in the same STEM setting as used in the actual experiment. The convergence semi-angle in pixel was determined from the size of the primary beam on the detector.</p> <p>The rotation and handedness of the detector coordinate system with respect to the scan axes was determined by minimizing the curl of the first moment vector field and making sure that the divergence of the field is negative at atom positions. Note that, in theory, the curl of purely electrostatic fields should vanish. The pixel size in the scan dimension of&nbsp;12.7 pm was taken from the STEM control software during live processing and verified by comparison with the known lattice constant of SrTiO<sub>3</sub>. The residual scan distortion, that is, the translation of the diffraction pattern as a whole during scanning, was not compensated for since it turned out to be negligible at the atomic-resolution STEM magnifications used in this analysis.</p> <p>The sample thickness was approximately 25 nm, determined by comparing the PACBED with simulation.</p> <p><strong>Parameters</strong></p> <p>Scan pixel size:&nbsp;12.7 pm</p> <p>Center y: 126 px</p> <p>Center x: 123 px</p> <p>Convergence semi-angle: 22.13 mrad, 15.5 px</p> <p>Thickness: approx. 25 nm</p> <p>Affine transformation of the direction of scan coordinates to detector coordinates using https://github.com/LiberTEM/LiberTEM/blob/master/src/libertem/corrections/coordinates.py:</p> <pre>transformation =&nbsp;rotate_deg(88) @ flip_y() det_sy, det_sx = ((scan_sy, scan_sx) @ transformation)</pre> <p>See the included notebook for an exemplary analysis. See&nbsp;https://arxiv.org/abs/2106.13457 for more details.</p>
000897404 536__ $$0G:(DE-HGF)POF4-5351$$a5351 - Platform for Correlative, In Situ and Operando Characterization (POF4-535)$$cPOF4-535$$fPOF IV$$x0
000897404 536__ $$0G:(DE-HGF)VH-NG-1317$$amoreSTEM - Momentum-resolved Scanning Transmission Electron Microscopy (VH-NG-1317)$$cVH-NG-1317$$x1
000897404 536__ $$0G:(DE-HGF)ZT-I-0025$$aPtychography 4.0 - Proposal for a pilot project "Information & Data Science" (ZT-I-0025)$$cZT-I-0025$$x2
000897404 588__ $$aDataset connected to DataCite
000897404 7001_ $$0P:(DE-Juel1)174151$$aClausen, Alexander$$b1
000897404 7001_ $$0P:(DE-Juel1)171370$$aWeber, Dieter$$b2
000897404 7001_ $$0P:(DE-Juel1)165314$$aMüller-Caspary, Knut$$b3
000897404 773__ $$a10.5281/ZENODO.5113449
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000897404 9141_ $$y2021
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