论文标题
来自数据驱动筛选的超导材料具有MGB2样结构
Superconductive materials with MgB2-like structures from data-driven screening
论文作者
论文摘要
由于超导体是表现出许多吸引人的量子现象的操场，因此找到可行的超导材料是物理界引起的。这项工作例证了针对新型MGB2样超导体的端到端材料发现，从数据驱动的化合物筛选一直到实验性实质性化。除了已知的超导化合物外，CAB2（TC = 9.4〜28.6 K），SRGA2（TC = 0.1〜2.4 K），BAGA2（TC = 0.3〜3.3 K），BAAU2（TC = 0.0〜0.5 K）和LACU2（TC = 0.1〜2.2 K）是新的构造，该构造是新的，be be be be new New to to to 18222,182222,1822222,18222与MGB2共享相似原子结构的超导化合物。此外，Baga2经过实验合成并测量，以确认该化合物是TC = 0.36 K的BCS超导体，与我们的理论预测非常吻合。这项工作为MGB2样超导体提供了一项“一劳永逸的”研究，并展示了通过数据驱动方法发现新材料是可行的。
Finding viable superconducting materials is of interest to the physics community as the superconductors are the playground to manifest many appealing quantum phenomena. This work exemplifies an end-to-end materials discovery towards novel MgB2-like superconductors, starting from the data-driven compound screening all the way to the experimental materialization. In addition to the known superconducting compounds, CaB2 (Tc = 9.4 ~ 28.6 K), SrGa2 (Tc = 0.1 ~ 2.4 K), BaGa2 (Tc = 0.3 ~ 3.3 K), BaAu2 (Tc = 0.0 ~ 0.5 K), and LaCu2 (Tc = 0.1 ~ 2.2 K) are newly discovered, out of ~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 BCS superconductor with Tc = 0.36 K, in good agreement with our theoretical predictions. This work provides a "once and for all" study for the MgB2-like superconductors and showcases that it is feasible to discover new materials via a data-driven approach.
