Evidence of Molecular Hydrogen in the N-doped LuH3 System: a Possible Path to Superconductivity?
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2023
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| _version_ | 1866917756931145728 |
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| author | Tresca, Cesare Forcella, Pietro Maria Angeletti, Andrea Ranalli, Luigi Franchini, Cesare Reticcioli, Michele Profeta, Gianni |
| author_facet | Tresca, Cesare Forcella, Pietro Maria Angeletti, Andrea Ranalli, Luigi Franchini, Cesare Reticcioli, Michele Profeta, Gianni |
| contents | 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2308_03619 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Evidence of Molecular Hydrogen in the N-doped LuH3 System: a Possible Path to Superconductivity? Tresca, Cesare Forcella, Pietro Maria Angeletti, Andrea Ranalli, Luigi Franchini, Cesare Reticcioli, Michele Profeta, Gianni Superconductivity 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. |
| title | Evidence of Molecular Hydrogen in the N-doped LuH3 System: a Possible Path to Superconductivity? |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2308.03619 |