Screening the organic materials database for superconducting metal-organic frameworks

Alexander C. Tyner; Alexander V. Balatsky

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arXiv · 2405.07632

Screening the organic materials database for superconducting metal-organic frameworks

Alexander C. Tyner·Alexander V. Balatsky

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Abstract

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.

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cond-mat.mtrl-sci cond-mat.mes-hall cond-mat.other cond-mat.str-el cond-mat.supr-con

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Alexander C. Tyner, Alexander V. Balatsky. 2024-05-13. Screening the organic materials database for superconducting metal-organic frameworks. https://arxiv.org/abs/2405.07632

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