Searching Materials Space for Hydride Superconductors at Ambient Pressure

Searching Materials Space for Hydride Superconductors at Ambient Pressure

March 21, 2024 | Tiago F. T. Cerqueira, Yue-Wen Fang, Ion Errea, Antonio Sanna, Miguel A. L. Marques
The authors employed a machine-learning approach to search for superconducting hydrides under ambient pressure, analyzing an extensive dataset of over 150,000 compounds. Their investigation identified around 50 systems with transition temperatures (Tc) exceeding 20 K, and some reaching above 70 K. These compounds exhibit diverse crystal structures, chemical compositions, and hydrogen arrangements. Notably, most of these systems show slight thermodynamic instability, suggesting that their synthesis would require conditions beyond ambient equilibrium. The chemical composition of these systems is consistently dominated by alkali or alkali-earth elements combined with noble metals, indicating a promising avenue for future experimental investigations into high-temperature superconductivity in hydrides at ambient pressure. The study provides a platform for exploring the synthesis and transport properties of these materials, potentially leading to new applications in superconducting devices.The authors employed a machine-learning approach to search for superconducting hydrides under ambient pressure, analyzing an extensive dataset of over 150,000 compounds. Their investigation identified around 50 systems with transition temperatures (Tc) exceeding 20 K, and some reaching above 70 K. These compounds exhibit diverse crystal structures, chemical compositions, and hydrogen arrangements. Notably, most of these systems show slight thermodynamic instability, suggesting that their synthesis would require conditions beyond ambient equilibrium. The chemical composition of these systems is consistently dominated by alkali or alkali-earth elements combined with noble metals, indicating a promising avenue for future experimental investigations into high-temperature superconductivity in hydrides at ambient pressure. The study provides a platform for exploring the synthesis and transport properties of these materials, potentially leading to new applications in superconducting devices.
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Understanding Searching Materials Space for Hydride Superconductors at Ambient Pressure