Searching Materials Space for Hydride Superconductors at Ambient Pressure

Cerqueira, Tiago F. T.; Fang, Yue‐Wen; Errea, Ion; Sanna, Antonio; Marques, Miguel A. L.

doi:10.1002/adfm.202404043

Searching Materials Space for Hydride Superconductors at Ambient Pressure

Journal Article · Wed Jun 19 00:00:00 EDT 2024 · Advanced Functional Materials

DOI:https://doi.org/10.1002/adfm.202404043· OSTI ID:2375555

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CFisUC Department of Physics University of Coimbra Rua Larga 3004‐516 Coimbra Portugal
Fisika Aplikatua Saila Gipuzkoako Ingeniaritza Eskola University of the Basque Country (UPV/EHU) Europa Plaza 1 20018 Donostia‐San Sebastián Spain, Centro de Física de Materiales (CSIC‐UPV/EHU) Manuel de Lardizabal Pasealekua 5 20018 Donostia‐San Sebastián Spain
Fisika Aplikatua Saila Gipuzkoako Ingeniaritza Eskola University of the Basque Country (UPV/EHU) Europa Plaza 1 20018 Donostia‐San Sebastián Spain, Centro de Física de Materiales (CSIC‐UPV/EHU) Manuel de Lardizabal Pasealekua 5 20018 Donostia‐San Sebastián Spain, Donostia International Physics Center (DIPC) Manuel de Lardizabal Pasealekua 4 20018 Donostia‐San Sebastián Spain
Max‐Planck‐Institut für Mikrostrukturphysik Weinberg 2 D‐06120 Halle Germany
Research Center Future Energy Materials and Systems of the University Alliance Ruhr and Interdisciplinary Centre for Advanced Materials Simulation Ruhr University Bochum Universitätsstraße 150 D‐44801 Bochum Germany

Abstract

A machine‐learning‐assisted approach is employed to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. The investigation yields ≈50 systems with transition temperatures surpassing 20 K, and some even reaching above 70 K. These compounds have very different crystal structures, with different dimensionality, chemical composition, stoichiometry, and arrangement of the hydrogens. Interestingly, most of these systems display slight thermodynamic instability, implying that their synthesis will re quire conditions beyond ambient equilibrium. Moreover, a consistent chemical composition is found in the majority of these systems, which combines alkali or alkali‐earth elements with noble metals. This observation suggests a promising avenue for future experimental investigations into high‐temperature superconductivity within hydrides at ambient pressure.

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Sponsoring Organization:: USDOE

OSTI ID:: 2375555

Journal Information:: Advanced Functional Materials, Journal Name: Advanced Functional Materials Journal Issue: 40 Vol. 34; ISSN 1616-301X

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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