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| Autori principali: | , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2023
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| Soggetti: | |
| Accesso online: | https://arxiv.org/abs/2310.19678 |
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| _version_ | 1866909275607007232 |
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| author | Swift, Michael W. Sercel, Peter C. Efros, Alexander L. Lyons, John L. Norris, David J. |
| author_facet | Swift, Michael W. Sercel, Peter C. Efros, Alexander L. Lyons, John L. Norris, David J. |
| contents | While nanoscale semiconductor crystallites provide versatile fluorescent materials for light-emitting devices, such nanocrystals suffer from the "dark exciton"$\unicode{x2014}$an optically inactive electronic state into which the nanocrystal relaxes before emitting. Recently, a theoretical mechanism was discovered that can potentially defeat the dark exciton. The Rashba effect can invert the order of the lowest-lying levels, creating a bright excitonic ground state. To identify materials that exhibit this behavior, here we perform an extensive high-throughput computational search of two large open-source materials databases. Based on a detailed understanding of the Rashba mechanism, we define proxy criteria and screen over 500,000 solids, generating 173 potential "bright-exciton" materials. We then refine this list with higher-level first-principles calculations to obtain 28 candidates. To confirm the potential of these compounds, we select five and develop detailed effective-mass models to determine the nature of their lowest-energy excitonic state. We find that four of the five solids (BiTeCl, BiTeI, Ga$_2$Te$_3$, and KIO$_3$) can yield bright ground-state excitons. Our approach thus reveals promising materials for future experimental investigation of bright-exciton nanocrystals. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2310_19678 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Double-Rashba materials for nanocrystals with bright ground-state excitons Swift, Michael W. Sercel, Peter C. Efros, Alexander L. Lyons, John L. Norris, David J. Materials Science While nanoscale semiconductor crystallites provide versatile fluorescent materials for light-emitting devices, such nanocrystals suffer from the "dark exciton"$\unicode{x2014}$an optically inactive electronic state into which the nanocrystal relaxes before emitting. Recently, a theoretical mechanism was discovered that can potentially defeat the dark exciton. The Rashba effect can invert the order of the lowest-lying levels, creating a bright excitonic ground state. To identify materials that exhibit this behavior, here we perform an extensive high-throughput computational search of two large open-source materials databases. Based on a detailed understanding of the Rashba mechanism, we define proxy criteria and screen over 500,000 solids, generating 173 potential "bright-exciton" materials. We then refine this list with higher-level first-principles calculations to obtain 28 candidates. To confirm the potential of these compounds, we select five and develop detailed effective-mass models to determine the nature of their lowest-energy excitonic state. We find that four of the five solids (BiTeCl, BiTeI, Ga$_2$Te$_3$, and KIO$_3$) can yield bright ground-state excitons. Our approach thus reveals promising materials for future experimental investigation of bright-exciton nanocrystals. |
| title | Double-Rashba materials for nanocrystals with bright ground-state excitons |
| topic | Materials Science |
| url | https://arxiv.org/abs/2310.19678 |