March 21, 2024 | Tiago F. T. Cerqueira, Yue-Wen Fang, Ion Errea, Antonio Sanna, Miguel A. L. Marques
This study presents a machine-learning approach to search for superconducting hydrides under ambient pressure within a large dataset of over 150,000 compounds. The investigation identified around 50 systems with transition temperatures above 20 K, some reaching above 70 K. These compounds exhibit diverse crystal structures, chemical compositions, and hydrogen arrangements. Most systems show slight thermodynamic instability, suggesting synthesis conditions beyond ambient equilibrium. A consistent chemical composition was found, combining alkali or alkali-earth elements with noble metals, indicating a promising avenue for future experimental investigations into high-temperature superconductivity in hydrides at ambient pressure.
The study highlights the importance of hydrogen content and electron-phonon coupling in superconductivity. It identifies several promising hydrides, including Mg₂RhH₆, Mg₂IrH₆, and Mg₂PtH₆, with high transition temperatures. The research also discusses the role of phonon dispersions, electron-phonon coupling constants, and the influence of hydrogen on the Fermi level. Statistical analysis reveals that high-temperature superconductivity is associated with low thermodynamic stability and high hydrogen content. The study emphasizes the need for further experimental investigation into the synthesis and properties of these hydrides. The findings suggest that ambient-pressure superconducting hydrides could enable new applications in technology. The research provides a comprehensive understanding of the factors influencing superconductivity in hydrides and offers a framework for future exploration.This study presents a machine-learning approach to search for superconducting hydrides under ambient pressure within a large dataset of over 150,000 compounds. The investigation identified around 50 systems with transition temperatures above 20 K, some reaching above 70 K. These compounds exhibit diverse crystal structures, chemical compositions, and hydrogen arrangements. Most systems show slight thermodynamic instability, suggesting synthesis conditions beyond ambient equilibrium. A consistent chemical composition was found, combining alkali or alkali-earth elements with noble metals, indicating a promising avenue for future experimental investigations into high-temperature superconductivity in hydrides at ambient pressure.
The study highlights the importance of hydrogen content and electron-phonon coupling in superconductivity. It identifies several promising hydrides, including Mg₂RhH₆, Mg₂IrH₆, and Mg₂PtH₆, with high transition temperatures. The research also discusses the role of phonon dispersions, electron-phonon coupling constants, and the influence of hydrogen on the Fermi level. Statistical analysis reveals that high-temperature superconductivity is associated with low thermodynamic stability and high hydrogen content. The study emphasizes the need for further experimental investigation into the synthesis and properties of these hydrides. The findings suggest that ambient-pressure superconducting hydrides could enable new applications in technology. The research provides a comprehensive understanding of the factors influencing superconductivity in hydrides and offers a framework for future exploration.