论文标题
状态的电子密度中的峰并不是超导性的强烈预测指标
Peaks in the electronic density of states are not strong predictors of Superconductivity
论文作者
论文摘要
在费米能量附近的电子带中，k空间中的能量分散最小，即“平坦波段”，通常被认为是超导材料的重要特征。当延伸到K空间的重要区域时，这会导致状态的电子密度峰值。如果可以系统地搜索已经通过材料基因组计划获得的材料的计算出的材料结构，那么对于这种峰值，则可以大大加速新的超导体发现速率。在这里，我们测试了这种特征是否实际上将已知的超导体与已知的非责任传统区分开。我们发现，对于四方对称材料存在反相关性，但是六角形对称超导体比六边形非抗渗透率更频繁地表现出这种峰。更普遍地，我们的研究的局限性强调了标准化数字资源在实现材料基因组计划承诺的加速材料发现范式方面的重要性。
Electronic bands near the Fermi energy with minimal energy dispersion in k-space, i.e. "flat bands", are often said to be an important characteristic of superconducting materials. When extending over a significant region of the k-space, this leads to peaks in the electronic density of states. If one could systematically search the calculated electronic structures of materials, already available through the Materials Genome Initiative, for such peaks, then the rate of new superconductor discovery could be accelerated greatly. Here we test whether this characteristic actually distinguishes known superconductors from known non-superconductors. We find that there is an anticorrelation for tetragonal symmetry materials, but that hexagonal symmetry superconductors exhibit such peaks more frequently than hexagonal non-superconductors. More generally, our study's limitations underscore the importance of standardizing digital resources for achieving the accelerated materials discovery paradigm promised by the Materials Genome Initiative.
