Cr2AlN and the search for the highest temperature superconductor in the M2AX family

Ertugrul Karaca, Peter John Phares Byrne*, Philip James Hasnip, Matt Probert

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


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.
Original languageEnglish
Article number6576
Number of pages13
JournalScientific Reports
Publication statusPublished - 21 Apr 2023

Bibliographical note

© The Author(s) 2023


  • Superconductivity
  • condensed matter
  • MAX phase

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