Title
Molecular hydrogen in the N-doped LuH3 system as a possible path to superconductivity
Author
Cesare Tresca
CNR-SPIN c/o Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’Aquila
Author
Pietro Maria Forcella
Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’Aquila
... show all
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.
Keywords
Structure of solids and liquidsSuperconducting properties and materials
Object type
Language
English [eng]
Persistent identifier
https://phaidra.univie.ac.at/o:2092807
Appeared in
Title
Nature Communications
Volume
15
ISSN
2041-1723
Issued
2024
Publisher
Springer Science and Business Media LLC
Date issued
2024
Access rights
Rights statement
© The Author(s) 2024

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