Searching for ductile superconducting Heusler X_(2)YZ compounds  

作　　者：Noah Hoffmann Tiago F.T.Cerqueira Pedro Borlido Antonio Sanna Jonathan Schmidt Miguel A.L.Marques 

机构地区：[1]Institut für Physik,Martin-Luther-Universität Halle-Wittenberg,D-06099 Halle,Germany [2]CFisUC,Department of Physics,University of Coimbra,Rua Larga 3004-516 Coimbra,Portugal [3]Max-Planck-Institut für Mikrostrukturphysik,Weinberg 2,D-06120 Halle,Germany

出　　处：《npj Computational Materials》2023年第1期919-927,共9页计算材料学（英文）

基　　金：T.F.T.C.and P.B.acknowledge financial support from Fundação para a Ciência e Tecnologia(FCT),Portugal(projects UIDB/04564/2020 and 2022.09975.PTDC and contract 2020.04225.CEECIND);the Laboratory for Advanced Computing at University of Coimbra for providing HPC resources that have contributed to the research results reported within this paper.

摘　　要：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.

关 键 词：DUCTILE COMPOUNDS SUPERCONDUCTING 

分 类 号：TB3[一般工业技术—材料科学与工程]