2020/07/14 by Zoë S. Yang, Yang, Zoë S., Austin M. Ferrenti +3
Materials Science · #Electronic and Structural Properties of Oxides #FOS: Physical sciences #Iron-based superconductors research #Machine Learning in Materials Science #Superconductivity (cond-mat.supr-con)
paper · pdf · doi:10.48550/arxiv.2007.07463
openalex publication_date 2020/07/14 · openalex created_date 2022/07/26 · openalex updated_date 2026/07/28
Electronic bands near the Fermi energy with minimal energy dispersion in\nk-space, i.e. "flat bands", are often said to be an important characteristic of\nsuperconducting materials. When extending over a significant region of the\nk-space, this leads to peaks in the electronic density of states. If one could\nsystematically search the calculated electronic structures of materials,\nalready available through the Materials Genome Initiative, for such peaks, then\nthe rate of new superconductor discovery could be accelerated greatly. Here we\ntest whether this characteristic actually distinguishes known superconductors\nfrom known non-superconductors. We find that there is an anticorrelation for\ntetragonal symmetry materials, but that hexagonal symmetry superconductors\nexhibit such peaks more frequently than hexagonal non-superconductors. More\ngenerally, our study's limitations underscore the importance of standardizing\ndigital resources for achieving the accelerated materials discovery paradigm\npromised by the Materials Genome Initiative.\n