| Autor: |
Thi Lan Dinh, G S Matthijs Jansen, D Russell Luke, Wiebke Bennecke, Stefan Mathias |
| Jazyk: |
angličtina |
| Rok vydání: |
2024 |
| Předmět: |
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| Zdroj: |
New Journal of Physics, Vol 26, Iss 4, p 043024 (2024) |
| Druh dokumentu: |
article |
| ISSN: |
1367-2630 |
| DOI: |
10.1088/1367-2630/ad3e22 |
| Popis: |
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. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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