Prediction of phonon-mediated superconductivity in new Ti-based M $$_2$$ 2 AX phases

Abstract A high-throughput computational method is used to predict 39 new superconductors in the Ti-based M $$_2$$ 2 AX phases, and the best candidates are then studied in more detail using density functional theory electron–phonon coupling calculations. The detailed calculations agree with the simp...

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Bibliographic Details

Published in:	Scientific Reports
Main Authors:	E. Karaca, P. J. P. Byrne, P. J. Hasnip, M. I. J. Probert
Format:	Article
Language:	English
Published:	Nature Portfolio 2022-08-01
Online Access:	https://doi.org/10.1038/s41598-022-17539-8