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

Sanna, A., Cerqueira, T. F. T., Fang, Y.-W., Errea, I., Ludwig, A., & Marques, M. A. L. (2024). Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds. npj Computational Materials, 10: 44. doi:10.1038/s41524-024-01214-9.

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https://doi.org/10.1038/s41524-024-01214-9 (Publisher version)
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Sanna, Antonio1, Author                 
Cerqueira, Tiago F. T.2, Author
Fang, Yue-Wen2, Author
Errea, Ion2, Author
Ludwig, Alfred2, Author
Marques, Miguel A. L.2, Author
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1Max Planck Institute of Microstructure Physics, Max Planck Society, ou_2415691              
2External Organizations, ou_persistent22              

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 Abstract: 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 Mg2XH6 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.

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 Dates: 2024-02-28
 Publication Status: Published online
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 Identifiers: DOI: 10.1038/s41524-024-01214-9
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Title: npj Computational Materials
  Abbreviation : npj Comput. Mater.
Source Genre: Journal
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Publ. Info: London : Springer Nature
Pages: - Volume / Issue: 10 Sequence Number: 44 Start / End Page: - Identifier: ISSN: 2057-3960
CoNE: https://pure.mpg.de/cone/journals/resource/2057-3960