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Comparison of Multislice Computer Programs for Electron Scattering Simulations and The Bloch Wave Method

Published online by Cambridge University Press:  02 July 2020

C. Koch  and
J.M. Zuo
C. Koch
Affiliation:
Department of Physics and Astronomy, Arizona State University, Tempe, AZ85287
J.M. Zuo
Affiliation:
Department of Physics and Astronomy, Arizona State University, Tempe, AZ85287
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Extract

As the demand for quantitative analysis of Transmission Electron Microscope (TEM) images and diffraction patterns increases, questions arise about the reliability of computer simulations using different software packages and algorithms that are used for comparison with the experiment. Here, we compared five multislice programs, which are (with the exception of Cerius2) freely available, with each other and also a Bloch wave code. Since multislice method propagates the electron beams through the crystal slice by slice, the development of differences between the programs can easily be seen by comparing amplitudes and phases of different beams vs. thickness (Pendelloesung plot). We calculated Pendelloesung plots for InP [001] in zone axis and tilted beam orientations and the Si [111] forbidden reflections using the following codes: Cerius2, NCEMSS, Autoslic3, Multis4, EMS5 and an updated Bloch wave code written by J.M. Zuo4.

Type
The Theory and Practice of Scanning Transmission Electron Microscopy
Information
Microscopy and Microanalysis , Volume 6 , Issue S2: Proceedings: Microscopy & Microanalysis 2000, Microscopy Society of America 58th Annual Meeting, Microbeam Analysis Society 34th Annual Meeting, Microscopical Society of Canada/Societe de Microscopie de Canada 27th Annual Meeting, Philadelphia, Pennsylvania August 13-17, 2000 , August 2000 , pp. 126 - 127
Copyright
Copyright © Microscopy Society of America

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References

References:

1. HRTEM module in Cerius 2, by Molecular Simulations Inc.Google Scholar
2.O'Keefe, M. and Kilaas, R., NCEM UC Berkley (http://ncem.lbl.gov/frames/software.htm)Google Scholar
3.Kirkland, E.J., Advanced Computing in Electron Microscopy, New York Plenum (1998)CrossRefGoogle Scholar
4.Spence, J.C.H., Zuo, J.M., Electron Microdiffraction, New York Plenum (1992) (code by Zuo, J.M.)Google Scholar
5.Stadelmann, P. A., I2M-EPFEL, CH-1015 Lausanne, SwitzalandGoogle Scholar
6. This research was supported by the National Science Foundation under grant NSF-9814055, we also thank Dr. E.J. Kirkland for his helpful advice.Google Scholar