Electron-optical phase images of WSe2
March 2017
by S. Borghardt, F. Winkler, Z. Zanolli, M. J. Verstraete, J. Barthel, A. H. Tavabi, R. E. Dunin-Borkowski and B. E. Kardynal
The quantitative analysis of electron-optical phase images recorded using off-axis electron holography often relies on the use of computer simulations of electron propagation through a sample. However, simulations that make use of the independent atom approximation are known to overestimate experimental phase shifts by approximately 10%, as they neglect bonding effects. In the present study experimental and simulated phase images for few-layer WSe2 are compared.
It is shown that a combination of pseudopotentials and all-electron density functional theory calculations can be used to obtain accurate mean electron phases, as well as improved atomic-resolution spatial distribution of the electron phase. The comparison demonstrates a perfect contrast match between experimental and simulated atomic-resolution phase images for a sample of precisely known thickness. The low computational cost of this approach makes it suitable for the analysis of large electronic systems, including defects, substitutional atoms, and material interfaces..
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Further reading:
S. Borghardt, F. Winkler, Z. Zanolli, M. J. Verstraete, J. Barthel, A. H. Tavabi, R. E. Dunin-Borkowski and B. E. Kardynal:
Quantitative agreement between electron-optical phase images of WSe2 and simulations based on electrostatic potentials that include bonding effects,
Phys. Rev. Lett. 118 (2017) 086101