Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal
The Bohmian trajectory method is employed to study electron diffraction in crystalline materials. It provides a fresh understanding of the process of electron diffraction, including traveling channels of electrons and formation of diffraction patterns. By combining it with the Bloch wave method, the...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2018-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/aae8f1 |
| _version_ | 1797750582575890432 |
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| author | L Cheng Y Ming Z J Ding |
| author_facet | L Cheng Y Ming Z J Ding |
| author_sort | L Cheng |
| collection | DOAJ |
| description | The Bohmian trajectory method is employed to study electron diffraction in crystalline materials. It provides a fresh understanding of the process of electron diffraction, including traveling channels of electrons and formation of diffraction patterns. By combining it with the Bloch wave method, the electron trajectories can be calculated more efficiently than the traditional wave-packet propagation algorithm. Meanwhile, we propose a momentum expectation approach which is a good approximation method with even higher computational efficiency. Both methods result in intuitive and accurate electron trajectories for the simulation of the electron backscatter diffraction (EBSD) pattern. Excellent agreement has been obtained between the simulated trajectory distributions and the experimental EBSD pattern from Mo (001) at 20 kV, where the Kikuchi patterns and higher order Laue zone rings are characterized. |
| first_indexed | 2024-03-12T16:34:52Z |
| format | Article |
| id | doaj.art-cdacd1e1adbe4abe9576a37545e52257 |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:34:52Z |
| publishDate | 2018-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-cdacd1e1adbe4abe9576a37545e522572023-08-08T14:56:38ZengIOP PublishingNew Journal of Physics1367-26302018-01-01201111300410.1088/1367-2630/aae8f1Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystalL Cheng0https://orcid.org/0000-0001-9599-2257Y Ming1Z J Ding2https://orcid.org/0000-0001-5767-1145Hefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China , Hefei, Anhui 230026, People’s Republic of China; Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, People’s Republic of ChinaSchool of Physics and Material Science, Anhui University , Hefei, Anhui 230601, People’s Republic of ChinaHefei National Laboratory for Physical Sciences at the Microscale and Department of Physics, University of Science and Technology of China , Hefei, Anhui 230026, People’s Republic of China; Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, People’s Republic of ChinaThe Bohmian trajectory method is employed to study electron diffraction in crystalline materials. It provides a fresh understanding of the process of electron diffraction, including traveling channels of electrons and formation of diffraction patterns. By combining it with the Bloch wave method, the electron trajectories can be calculated more efficiently than the traditional wave-packet propagation algorithm. Meanwhile, we propose a momentum expectation approach which is a good approximation method with even higher computational efficiency. Both methods result in intuitive and accurate electron trajectories for the simulation of the electron backscatter diffraction (EBSD) pattern. Excellent agreement has been obtained between the simulated trajectory distributions and the experimental EBSD pattern from Mo (001) at 20 kV, where the Kikuchi patterns and higher order Laue zone rings are characterized.https://doi.org/10.1088/1367-2630/aae8f1Bohmian mechanicselectron diffractionquantum trajectoriesquantum simulation |
| spellingShingle | L Cheng Y Ming Z J Ding Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal New Journal of Physics Bohmian mechanics electron diffraction quantum trajectories quantum simulation |
| title | Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal |
| title_full | Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal |
| title_fullStr | Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal |
| title_full_unstemmed | Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal |
| title_short | Bohmian trajectory-bloch wave approach to dynamical simulation of electron diffraction in crystal |
| title_sort | bohmian trajectory bloch wave approach to dynamical simulation of electron diffraction in crystal |
| topic | Bohmian mechanics electron diffraction quantum trajectories quantum simulation |
| url | https://doi.org/10.1088/1367-2630/aae8f1 |
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