Karaca, Ertugrul, Byrne, Peter John Phares, Hasnip, Philip James orcid.org/0000-0002-4314-4093 et al. (1 more author) (2023) Cr2AlN and the search for the highest temperature superconductor in the M2AX family. Scientific Reports. 6576. ISSN 2045-2322
Abstract
We have developed a high-throughput computational method to predict the superconducting transition temperature in stable hexagonal M 2AX phases, and applied it to all the known possible choices for M (M: Sc, Ti, V, Cr, Mn, Fe, Y, Zr, Nb, Mo, Lu, Hf and Ta). We combine this with the best candidates for A (A: Al, Cu, Ge and Sn ) and X (X: C and N) from our previous work, and predict T c for 60 M2AX-phase materials, 53 of which have never been studied before. From all of these, we identify Cr2AlN as the best candidate for the highest T c , and confirm its high T c with more detailed density functional theory electron-phonon coupling calculations. Our detailed calculations predict Tc = 14.8 K for Cr2AlN, which is significantly higher than any Tc value known or predicted for any material in the M2AX family to date.
Metadata
Item Type: | Article | ||||||
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © The Author(s) 2023 | ||||||
Keywords: | Superconductivity, condensed matter, MAX phase | ||||||
Dates: |
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Institution: | The University of York | ||||||
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) | ||||||
Funding Information: |
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Depositing User: | Pure (York) | ||||||
Date Deposited: | 28 Apr 2023 15:00 | ||||||
Last Modified: | 02 Apr 2024 23:18 | ||||||
Published Version: | https://doi.org/10.1038/s41598-023-33517-0 | ||||||
Status: | Published | ||||||
Refereed: | Yes | ||||||
Identification Number: | https://doi.org/10.1038/s41598-023-33517-0 |
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Description: Cr2 AlN and the search for the highest temperature superconductor in the M2 AX family
Licence: CC-BY 2.5