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Calculation of Bohmian quantum trajectories for STEM |
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| Authors: | M ZHANG Y MING RG ZENG ZJ DING |
| Affiliation: | 1. Department of Physics and Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui, P.R. China;2. School of Physics and Material Science, Anhui University, Hefei, Anhui, P.R. China;3. Science and Technology on Surface Physics and Chemistry Laboratory, Sichuan, P.R China |
| Abstract: | We present in this work the calculation of Bohmian quantum trajectories representing the wave function propagation in a crystal for a focused electron probe in a scanning transmission electron microscope (STEM). The wave function and quantum trajectories are obtained from the calculation of time‐dependent Schrödinger equation by fast Fourier transformation multislice algorithm. In our work, the Bohmian quantum trajectories of a scanning probe penetrating a Cu crystal are studied as an example of this calculation scheme. The results help us to better understand the electron diffraction process in a microscopic imaging from a trajectory‐based point of view. This Bohmian quantum trajectory method can be used to extend the application of classical Monte Carlo method from the study of electron interaction with amorphous solid to crystalline structure. |
| Keywords: | Bohmian quantum trajectories electron probe multislice theory STEM simulation wave function |