The Multislice method to calculate the scattering of electrons by a crystal is compared to the Bloch-wave method using the crystal of Fig. 1.
Figure 1 Crystal used for the multislice versus Bloch-wave comparison.
The Multislice method to calculate the scattering of electrons by a crystal is compared to the Bloch-wave method using the crystal of Fig. 1.
Figures 2 and 3 show the the intensity of the (000) reflection as a function of crystal thickness. When a sufficient number of reflections is included in the Bloch-wave calculation the calculations provide very similar results (but not identical due to rounding errors).
The reflections intensity, amplitude or phase as a function of crystal thickness is saved as Mathematica notebooks:
Multislice calculation.
Bloch-wave calculation.
or text files:
Multislice calculation.
Bloch-wave calculation.
The Mathematica notebooks provide list of the all the reflections included in the calculation. With a little work it is possible to extract the reflections and use them using a different plotting program.
These Mathematica notebooks are generated during the calculations when the options shown on Figures 4a (multilsice) and 4 (Blochwave) are selected.
