Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds

The primary challenge in the field of high-temperature superconductivity in hydrides is to achieve a superconducting state at ambient pressure rather than the extreme pressures that have been required in experiments so far. Here, we propose a family of compounds, of composition \(Mg_{2}XH_{6}\) with X = Rh, Ir, Pd, or Pt, that achieves this goal. These materials were identified by scrutinizing more than a million compounds using a machine-learning accelerated high-throughput workflow. We predict that their superconducting transition temperatures are in the range of 45-80 K, or even above 100 K with appropriate electron doping of the Pt compound. These results indicate that, although very rare, high-temperature superconductivity in hydrides is achievable at room pressure.

Metadaten
Author:	Antonio Sanna GND, Tiago F.T. Cerqueira ORCiD GND, Yue-Wen Fang ORCiD GND, Ion Errea ORCiD GND, Alfred Ludwig ORCiD GND, Miguel Marques GND
URN:	urn:nbn:de:hbz:294-111325
DOI:	https://doi.org/10.1038/s41524-024-01214-9
Parent Title (English):	npj computational materials
Publisher:	Nature Publ. Group, part of Springer Nature
Place of publication:	London
Document Type:	Article
Language:	English
Date of Publication (online):	2024/04/22
Date of first Publication:	2024/02/28
Publishing Institution:	Ruhr-Universität Bochum, Universitätsbibliothek
Volume:	10
Issue:	Article 44
First Page:	44-1
Last Page:	44-7
Note:	Dieser Beitrag ist auf Grund des DEAL-Springer-Vertrages frei zugänglich.
Institutes/Facilities:	Interdisciplinary Centre for Advanced Materials Simulation (ICAMS)
Dewey Decimal Classification:	Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften, Maschinenbau
open_access (DINI-Set):	open_access
faculties:	Fakultät für Maschinenbau
Licence (English):	Creative Commons - CC BY 4.0 - Attribution 4.0 International

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