Screening the organic materials database for superconducting metal-organic frameworks
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arXiv
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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866914794001399808 |
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| author | Tyner, Alexander C. Balatsky, Alexander V. |
| author_facet | Tyner, Alexander C. Balatsky, Alexander V. |
| contents | The increasing financial and environmental cost of many inorganic materials has motivated study into organic and "green" alternatives. However, most organic compounds contain a large number of atoms in the primitive unit cell, posing a significant barrier to high-throughput screening for functional properties. In this work, we attempt to overcome this challenge and identify superconducting candidates among the metal-organic-frameworks in the organic materials database using a recently proposed proxy for the electron-phonon coupling. We then isolate the most promising candidate for in-depth analysis, C$_{9}$H$_{8}$Mn$_{2}$O$_{11}$, providing evidence for superconductivity below $100$mK. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_07632 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Screening the organic materials database for superconducting metal-organic frameworks Tyner, Alexander C. Balatsky, Alexander V. Materials Science Mesoscale and Nanoscale Physics Other Condensed Matter Strongly Correlated Electrons Superconductivity The increasing financial and environmental cost of many inorganic materials has motivated study into organic and "green" alternatives. However, most organic compounds contain a large number of atoms in the primitive unit cell, posing a significant barrier to high-throughput screening for functional properties. In this work, we attempt to overcome this challenge and identify superconducting candidates among the metal-organic-frameworks in the organic materials database using a recently proposed proxy for the electron-phonon coupling. We then isolate the most promising candidate for in-depth analysis, C$_{9}$H$_{8}$Mn$_{2}$O$_{11}$, providing evidence for superconductivity below $100$mK. |
| title | Screening the organic materials database for superconducting metal-organic frameworks |
| topic | Materials Science Mesoscale and Nanoscale Physics Other Condensed Matter Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2405.07632 |