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Searching for ductile superconducting Heusler X2YZ compounds

Authors: N. Hoffmann; Tiago F.T. Cerqueira; Pedro Borlido; Antonio Sanna; J. Schmidt; Miguel A.L. Marques

Ref.: NPJ Comput. Mater. 9(1), 138 (2023)

Abstract: Heusler compounds attract a great deal of attention from researchers thanks to a wealth of interesting properties, among which is superconductivity. Here we perform an extensive study of the superconducting and elastic properties of the cubic (full-)Heusler family using a mixture of ab initio methods, as well as interpretable and predictive machine-learning models. By analyzing the statistical distributions of these properties and comparing them to anti-perovskites, we recognize universal behaviors that should be common to all conventional superconductors while others turn out to be specific to the material family. In total, we discover a total of eight hypothetical materials with critical temperatures above 10 K to be compared with the current record of T-c = 4.7 K in this family. Furthermore, we expect most of these materials to be highly ductile, making them potential candidates for the manufacture of wires and tapes for superconducting magnets.

DOI: doi.org/10.1038/s41524-023-01084-7