论文标题
材料信息学揭示了铜土超导体中未开发的结构空间
Materials Informatics Reveals Unexplored Structure Space in Cuprate Superconductors
论文作者
论文摘要
High-temperature superconducting cuprates have the potential to be transformative in a wide range of energy applications.在这项工作中，我们使用材料信息学并重新检查其结构与其临界温度（TC）分析了有关丘陵酸盐的历史数据语料库。 The available data is highly clustered and no single database contains all the features of interest to properly examine trends.为了解决这些问题，我们采用了一种线性校准方法，该方法使我们能够利用多个数据源 - 将TC与已知的粗分辨率数据相结合，将TC与粗分辨率数据相结合。 The hybrid data set constructed enables us to explore the trends in Tc with the apical and in-plane copper-oxygen distances.我们表明，材料空间的大区域尚未探索，并强调了如何依赖晶体结构的纳米工程的新型实验可能使我们能够探索此类新区域。 Based on the trends identified we propose that single layer Bi-based cuprates are good candidate systems for such experiments.
High-temperature superconducting cuprates have the potential to be transformative in a wide range of energy applications. In this work we analyse the corpus of historical data about cuprates using materials informatics and re-examine 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 we employ a linear calibration approach that allows us to utilise multiple data sources -- combining fine resolution data for which the Tc is unknown with coarse resolution data where it is known. The hybrid data set constructed enables us to explore the trends in Tc with the apical and in-plane copper-oxygen distances. We show that large regions of the materials space have yet to be explored and highlight how novel experiments relying on nano-engineering of the crystal structure may enable us to explore such new regions. Based on the trends identified we propose that single layer Bi-based cuprates are good candidate systems for such experiments.
