A minimalist approach to 3D photoemission orbital tomography: algorithms and data requirements Article Swipe
Thi Lan Dinh
,
G. S. Matthijs Jansen
,
D. Lüke
,
Wiebke Bennecke
,
Stefan Mathias
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1088/1367-2630/ad3e22
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1088/1367-2630/ad3e22
Photoemission orbital tomography provides direct access from laboratory measurements to the real-space molecular orbitals of well-ordered organic semiconductor layers. Specifically, the application of phase retrieval algorithms to photon-energy- and angle-resolved photoemission data enables the direct reconstruction of full 3D molecular orbitals without the need for simulations using density functional theory or the like. However, until now this procedure has remained challenging due to the need for densely-sampled, well-calibrated 3D photoemission patterns. Here, we present an iterative projection algorithm that completely eliminates this challenge: for the benchmark case of the pentacene frontier orbitals, we demonstrate the reconstruction of the full orbital based on a dataset containing only four simulated photoemission momentum measurements. We discuss the algorithm performance, sampling requirements with respect to the photon energy, optimal measurement strategies, and the accuracy of orbital images that can be achieved.
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- Type
- preprint
- Language
- en
- Landing Page
- https://doi.org/10.1088/1367-2630/ad3e22
- https://iopscience.iop.org/article/10.1088/1367-2630/ad3e22/pdf
- OA Status
- gold
- Cited By
- 1
- References
- 45
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4391988376
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https://doi.org/10.1088/1367-2630/ad3e22Digital Object Identifier
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A minimalist approach to 3D photoemission orbital tomography: algorithms and data requirementsWork title
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preprintOpenAlex work type
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enPrimary language
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2024Year of publication
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2024-04-01Full publication date if available
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Thi Lan Dinh, G. S. Matthijs Jansen, D. Lüke, Wiebke Bennecke, Stefan MathiasList of authors in order
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https://doi.org/10.1088/1367-2630/ad3e22Publisher landing page
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https://iopscience.iop.org/article/10.1088/1367-2630/ad3e22/pdfDirect link to full text PDF
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goldOpen access status per OpenAlex
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https://iopscience.iop.org/article/10.1088/1367-2630/ad3e22/pdfDirect OA link when available
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1Total citation count in OpenAlex
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2024: 1Per-year citation counts (last 5 years)
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| abstract_inverted_index.algorithms | 26 |
| abstract_inverted_index.challenge: | 83 |
| abstract_inverted_index.completely | 80 |
| abstract_inverted_index.containing | 105 |
| abstract_inverted_index.eliminates | 81 |
| abstract_inverted_index.functional | 49 |
| abstract_inverted_index.laboratory | 8 |
| abstract_inverted_index.projection | 77 |
| abstract_inverted_index.real-space | 12 |
| abstract_inverted_index.tomography | 3 |
| abstract_inverted_index.application | 22 |
| abstract_inverted_index.challenging | 61 |
| abstract_inverted_index.demonstrate | 94 |
| abstract_inverted_index.measurement | 126 |
| abstract_inverted_index.simulations | 46 |
| abstract_inverted_index.strategies, | 127 |
| abstract_inverted_index.measurements | 9 |
| abstract_inverted_index.performance, | 116 |
| abstract_inverted_index.requirements | 118 |
| abstract_inverted_index.well-ordered | 16 |
| abstract_inverted_index.Photoemission | 1 |
| abstract_inverted_index.Specifically, | 20 |
| abstract_inverted_index.measurements. | 111 |
| abstract_inverted_index.photoemission | 31, 70, 109 |
| abstract_inverted_index.semiconductor | 18 |
| abstract_inverted_index.angle-resolved | 30 |
| abstract_inverted_index.photon-energy- | 28 |
| abstract_inverted_index.reconstruction | 36, 96 |
| abstract_inverted_index.well-calibrated | 68 |
| abstract_inverted_index.densely-sampled, | 67 |
| cited_by_percentile_year.max | 94 |
| cited_by_percentile_year.min | 90 |
| countries_distinct_count | 0 |
| institutions_distinct_count | 5 |
| sustainable_development_goals[0].id | https://metadata.un.org/sdg/7 |
| sustainable_development_goals[0].score | 0.7200000286102295 |
| sustainable_development_goals[0].display_name | Affordable and clean energy |
| citation_normalized_percentile.value | 0.79119483 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |