Molecular hydrogen in the N-doped LuH<sub>3</sub> system as a possible path to superconductivity
- Author(s)
- Cesare Tresca, Pietro Maria Forcella, Andrea Angeletti, Luigi Ranalli, Cesare Franchini, Michele Reticcioli, Gianni Profeta
- Abstract
The discovery of ambient superconductivity would mark an epochal breakthrough long-awaited for over a century, potentially ushering in unprecedented scientific and technological advancements. The recent findings on high-temperature superconducting phases in various hydrides under high pressure have ignited optimism, suggesting that the realization of near-ambient superconductivity might be on the horizon. However, the preparation of hydride samples tends to promote the emergence of various metastable phases, marked by a low level of experimental reproducibility. Identifying these phases through theoretical and computational methods entails formidable challenges, often resulting in controversial outcomes. In this paper, we consider N-doped LuH3 as a prototypical complex hydride: By means of machine-learning-accelerated force-field molecular dynamics, we have identified the formation of H2 molecules stabilized at ambient pressure by nitrogen impurities. Importantly, we demonstrate that this molecular phase plays a pivotal role in the emergence of a dynamically stable, low-temperature, experimental-ambient-pressure superconductivity. The potential to stabilize hydrogen in molecular form through chemical doping opens up a novel avenue for investigating disordered phases in hydrides and their transport properties under near-ambient conditions.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Università degli Studi dell’Aquila, University of Bologna
- Journal
- Nature Communications
- Volume
- 15
- No. of pages
- 7
- ISSN
- 2041-1723
- DOI
- https://doi.org/10.1038/s41467-024-51348-z
- Publication date
- 08-2024
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103033 Superconductivity, 103018 Materials physics, 103009 Solid state physics
- ASJC Scopus subject areas
- Chemistry(all), Biochemistry, Genetics and Molecular Biology(all), Physics and Astronomy(all)
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/molecular-hydrogen-in-the-ndoped-luh3-system-as-a-possible-path-to-superconductivity(7bf5cc8f-f32c-4ef1-ae9e-341ea61172a9).html