Materials Informatics Reveals Unexplored Structure Space in Cuprate Superconductors
Materials Informatics Reveals Unexplored Structure Space in Cuprate Superconductors
复制标题
材料信息学揭示了铜酸盐超导体中未探索的结构空间
DOI：
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发表时间：
2020
影响因子：
19
通讯作者：
A. Lee
中科院分区：
文献类型：
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作者：
Rhys E. A. Goodall;Bonan Zhu;J. MacManus‐Driscoll;A. Lee
高温超导铜酸盐具有在广泛的能源应用中带来变革的潜力。在这项工作中，使用材料信息学对铜酸盐的历史数据进行了分析，重新检查了它们的结构与其临界温度 (Tc) 的关系。可用数据高度聚集，没有一个数据库包含正确检查趋势所需的所有特征。为了解决这些问题，采用了允许利用多个数据源的线性校准方法，将 Tc 未知的精细分辨率数据与已知的粗分辨率数据相结合。构建的混合数据集使得能够探索 Tc 随顶端和面内铜-氧距离的趋势。结果表明，材料空间的大片区域仍有待探索。依赖晶体结构纳米工程的新实验可能有助于探索这些新区域。根据确定的趋势，建议单层铋基铜酸盐是此类实验的良好候选系统。
High‐temperature superconducting cuprates have the potential to be transformative in a wide range of energy applications. In this work, the corpus of historical data about cuprates is analyzed using materials informatics, re‐examining how their structures are related to their critical temperatures (Tc). The available data is highly clustered and no single database contains all the features of interest to properly examine trends. To work around these issues a linear calibration approach that allows the utilization of multiple data sources is employed, combining fine resolution data for which the Tc is unknown with coarse resolution data where it is known. The hybrid data set constructed enables the exploration of the trends in Tc with the apical and in‐plane copper–oxygen distances. It is shown that large regions of the materials space have yet to be explored. Novel experiments relying on the nano‐engineering of the crystal structure may enable the exploration of such new regions. Based on the trends identified it is proposed that single layer Bi‐based cuprates are good candidate systems for such experiments.
影响因子：
64.8
作者：
Mankowsky, R.;Subedi, A.;Cavalleri, A.
通讯作者：
Cavalleri, A.