Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper
Abstract For the Cu(100), Cu(110), and Cu(111) surfaces varying asymmetric line shapes are found for the atomic 3d84s2 multiplet two-hole final state binding energies reached in MVV Auger photoelectron coincidence spectroscopy. Higher asymmetry for Cu(111) and Cu(110) in comparison to Cu(100) is cau...
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Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
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| Online Access: | https://doi.org/10.1038/s41598-025-06782-4 |
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| author | Swarnshikha Sinha Danilo Kühn Fredrik. O. L. Johansson Andreas Lindblad Nils Mårtensson Börje Johansson Pavel A. Korzhavyi Alexander Föhlisch |
| author_facet | Swarnshikha Sinha Danilo Kühn Fredrik. O. L. Johansson Andreas Lindblad Nils Mårtensson Börje Johansson Pavel A. Korzhavyi Alexander Föhlisch |
| author_sort | Swarnshikha Sinha |
| collection | DOAJ |
| description | Abstract For the Cu(100), Cu(110), and Cu(111) surfaces varying asymmetric line shapes are found for the atomic 3d84s2 multiplet two-hole final state binding energies reached in MVV Auger photoelectron coincidence spectroscopy. Higher asymmetry for Cu(111) and Cu(110) in comparison to Cu(100) is caused by reduced dynamic screening for Cu(111) and Cu(110) in contrast to free electron like Cu(100). This is a consequence of the surface projected band gaps in Cu(111) and Cu(110) not present in Cu(100). We describe the distinct tailing in the experimental line shapes of the three Cu surfaces with first principles calculations of layer-dependent two-hole binding energy shifts, depth-dependent intensity distribution and Doniach-Sunjic asymmetry parametrization. These fundamental insights into the surface-specific electronic structure can advance the understanding of structure-reactivity relationships in Copper-based surfaces and catalysts. |
| format | Article |
| id | doaj-art-205d6b3b1ea446d5a8f48d58eb35d4e9 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-205d6b3b1ea446d5a8f48d58eb35d4e92025-08-20T03:42:27ZengNature PortfolioScientific Reports2045-23222025-07-011511910.1038/s41598-025-06782-4Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copperSwarnshikha Sinha0Danilo Kühn1Fredrik. O. L. Johansson2Andreas Lindblad3Nils Mårtensson4Börje Johansson5Pavel A. Korzhavyi6Alexander Föhlisch7Institut für Methoden und Instrumentierung der Forschung mit Synchrotronstrahlung, Helmholtz-Zentrum Berlin für Materialien und Energie GmbHInstitut für Methoden und Instrumentierung der Forschung mit Synchrotronstrahlung, Helmholtz-Zentrum Berlin für Materialien und Energie GmbHUppsala-Berlin Joint Laboratory on Next Generation Photoelectron SpectroscopyUppsala-Berlin Joint Laboratory on Next Generation Photoelectron SpectroscopyUppsala-Berlin Joint Laboratory on Next Generation Photoelectron SpectroscopyPhysics Department and CSMB, Humboldt-Universität zu BerlinDepartment of Materials Science and Engineering, KTH Royal Institute of TechnologyInstitut für Methoden und Instrumentierung der Forschung mit Synchrotronstrahlung, Helmholtz-Zentrum Berlin für Materialien und Energie GmbHAbstract For the Cu(100), Cu(110), and Cu(111) surfaces varying asymmetric line shapes are found for the atomic 3d84s2 multiplet two-hole final state binding energies reached in MVV Auger photoelectron coincidence spectroscopy. Higher asymmetry for Cu(111) and Cu(110) in comparison to Cu(100) is caused by reduced dynamic screening for Cu(111) and Cu(110) in contrast to free electron like Cu(100). This is a consequence of the surface projected band gaps in Cu(111) and Cu(110) not present in Cu(100). We describe the distinct tailing in the experimental line shapes of the three Cu surfaces with first principles calculations of layer-dependent two-hole binding energy shifts, depth-dependent intensity distribution and Doniach-Sunjic asymmetry parametrization. These fundamental insights into the surface-specific electronic structure can advance the understanding of structure-reactivity relationships in Copper-based surfaces and catalysts.https://doi.org/10.1038/s41598-025-06782-4Synchrotron soft X-ray SpectroscopyAuger Photoelectron CoincidencesCu surface projected bandstructureScreening of impurity states |
| spellingShingle | Swarnshikha Sinha Danilo Kühn Fredrik. O. L. Johansson Andreas Lindblad Nils Mårtensson Börje Johansson Pavel A. Korzhavyi Alexander Föhlisch Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper Scientific Reports Synchrotron soft X-ray Spectroscopy Auger Photoelectron Coincidences Cu surface projected bandstructure Screening of impurity states |
| title | Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper |
| title_full | Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper |
| title_fullStr | Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper |
| title_full_unstemmed | Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper |
| title_short | Collective contributions to the atomic Auger photoelectron coincidences on the (100), (110) and (111) facets of copper |
| title_sort | collective contributions to the atomic auger photoelectron coincidences on the 100 110 and 111 facets of copper |
| topic | Synchrotron soft X-ray Spectroscopy Auger Photoelectron Coincidences Cu surface projected bandstructure Screening of impurity states |
| url | https://doi.org/10.1038/s41598-025-06782-4 |
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