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Measuring Interatomic Bonding and Charge Redistributions in Defects by Combining 4D-STEM and STEM Multislice Simulations

Published online by Cambridge University Press:  30 July 2020

Damien Heimes
Affiliation:
Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, Marburg, Hessen, Germany
Jürgen Belz
Affiliation:
Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, Marburg, Hessen, Germany
Andreas Beyer
Affiliation:
Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, Marburg, Hessen, Germany
Kerstin Volz
Affiliation:
Faculty of Physics and Materials Sciences Center, Philipps-Universität Marburg, Marburg, Hessen, Germany

Abstract

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Type
Advances in Modeling, Simulation, and Artificial Intelligence in Microscopy and Microanalysis for Physical and Biological Systems
Copyright
Copyright © Microscopy Society of America 2020

References

Müller, Knut, et al. “Atomic electric fields revealed by a quantum mechanical approach to electron picodiffraction.” Nature communications 5.1 (2014): 18.10.1038/ncomms6653CrossRefGoogle ScholarPubMed
Müller-Caspary, Knut, et al. “Measurement of atomic electric fields and charge densities from average momentum transfers using scanning transmission electron microscopy.” Ultramicroscopy 178 (2017): 6280.10.1016/j.ultramic.2016.05.004CrossRefGoogle ScholarPubMed
Shibata, Naoya, et al. “Electric field imaging of single atoms.” Nature communications 8.1 (2017): 17.10.1038/ncomms15631CrossRefGoogle ScholarPubMed
Gao, Wenpei, et al. “Real-space charge-density imaging with sub-ångström resolution by four-dimensional electron microscopy.” Nature 575.7783 (2019): 480484.10.1038/s41586-019-1649-6CrossRefGoogle ScholarPubMed
Kirkland, Earl J. Advanced computing in electron microscopy. Springer Science & Business Media, 2010.10.1007/978-1-4419-6533-2CrossRefGoogle Scholar
Oelerich, Jan Oliver, et al. “STEMsalabim: a high-performance computing cluster friendly code for scanning transmission electron microscopy image simulations of thin specimens.” Ultramicroscopy 177 (2017): 9196.10.1016/j.ultramic.2017.03.010CrossRefGoogle ScholarPubMed
Beyer, A., et al. “Atomic structure of (110) anti-phase boundaries in GaP on Si (001).” Applied Physics Letters 103.3 (2013): 032107.10.1063/1.4815985CrossRefGoogle Scholar
Susi, Toma, et al. “Efficient first principles simulation of electron scattering factors for transmission electron microscopy.” Ultramicroscopy 197 (2019): 1622.10.1016/j.ultramic.2018.11.002CrossRefGoogle ScholarPubMed
Enkovaara, J. E., et al. “Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.” Journal of Physics: Condensed Matter 22.25 (2010): 253202.Google ScholarPubMed