Browsing by Author "Byrne, P. J. P."

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

Karaca, E.; Byrne, P. J. P.; Hasnip, P. J.; Probert, M. I. J. (NATURE PORTFOLIO, 2023)

We have developed a high-throughput computational method to predict the superconducting transition temperature in stable hexagonal M(2)AX phases, and applied it to all the known possible choices for M (M: Sc, Ti, V, Cr, ...
Prediction of phonon-mediated superconductivity in new Ti-based M(2)AX phases

Karaca, E.; Byrne, P. J. P.; Hasnip, P. J.; Probert, M. I. J. (NATURE PORTFOLIO, 2022)

A high-throughput computational method is used to predict 39 new superconductors in the Ti-based M(2)AX phases, and the best candidates are then studied in more detail using density functional theory electron-phonon coupling ...