Screening the organic materials database for superconducting metal-organic frameworks

Fuente: arXiv
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Main Authors: Tyner, Alexander C., Balatsky, Alexander V.
Format: Preprint
Published: 2024
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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