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Superconductive materials with MgB2-like structures from data-driven screening
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DOI：10.1103/PhysRevB.105.214517.png)
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Abstract
En 中文
Finding viable superconducting materials is of interest to the physics community, as the superconductors are the playground for manifesting many appealing quantum phenomena. In this paper, we exemplify an end-to-end materials discovery toward MgB2-like superconductors, starting from data-driven compound screening to experimental materialization. In addition to the known superconducting compounds, CaB2 (T-c = 9.4-28.6 K), SrGa2 (T-c = 0.1-2.4 K), BaGa2 (T-c = 0.3-3.3 K), BaAu2 (T-c = 0.0-0.5 K), and LaCu2 (T-c = 0.1-2.2 K) are discovered, out of similar to 182 000 starting structures, to be the most promising superconducting compounds that share similar atomic structures with MgB2. Moreover, BaGa2 is experimentally synthesized and measured to confirm that the compound is a Bardeen-Cooper-Schrieffer superconductor with T-c = 0.36 K, in good agreement with our theoretical predictions. In this paper, we provide a study for the MgB2-like superconductors and showcase that it is feasible to discover materials via a data-driven approach.
Keywords:
TRANSITION-TEMPERATURE
MGB2
PHASE
DIBORIDES
Journal
IF:
3.7
Papers:
15.4W
Citations:
41.0W