feature/SOF-7524 Vacancy in hBN tutorial #305
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VsevolodX
commented
Dec 28, 2024
VsevolodX
commented
- feat: add vacncy in hbn tutorial (claude)
- update: add more steps
- update: add images
- update: add a ref and peridos
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| WIDTH = 8 # in number of atoms | ||
| LENGTH = 14 # in number of atoms | ||
| VACUUM_WIDTH = 0 # in number of atoms | ||
| VACUUM_LENGTH = 0 # in number of atoms |
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How are these distances measured in the number of atoms? Not clear - is this number of layers?
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Yes, layers, but perpendicular to Z-axis
| !!!note "Manuscript" | ||
| Fabian Bertoldo, Sajid Ali, Simone Manti & Kristian S. Thygesen, "Quantum point defects in 2D materials - the QPOD database", Nature, 2022. [DOI:10.1038/s41524-022-00730-w](https://doi.org/10.1038/s41524-022-00730-w){:target='_blank'}. | ||
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| We use the [Materials Designer](../../../materials-designer/overview.md) and JupyterLite environment to create a nanoribbon of hexagonal boron nitride (hBN) and introduce vacancy defects. The process combines the capabilities of nanoribbon creation and point defect introduction. |
mkdocs.yml
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| @@ -222,6 +222,7 @@ nav: | |||
| - Specific: | |||
| - Substitutional Point Defects in Graphene: tutorials/materials/specific/defect-point-substitution-graphene.md | |||
| - Vacancy-Substitution Pair Defects in GaN: tutorials/materials/specific/defect-point-pair-gallium-nitride.md | |||
| - Vacancy Defect in hBN: tutorials/materials/specific/defect-point-vacancy-boron-nitride.md | |||
timurbazhirov
approved these changes
Dec 28, 2024
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