作者: Eva Zurek , Guochun Yang , Guochun Yang , Fei Li , Fei Li
DOI: 10.1103/PHYSREVMATERIALS.5.044802
关键词: Superconductivity 、 Stoichiometry 、 Oxygen content 、 Crystallography 、 Yttrium 、 Materials science 、 High pressure 、 Electronic structure 、 Future studies
摘要: The oxygenic motifs (eg, O 2–, O 2 2–O 2 2–, and O 2–) that are present in compounds have a substantial effect on their electronic structure and behavior. Herein, first-principles swarm-…