Superconducting states in doped cuprates from ab initio quantum embedding

Following the previous work on the electronic structure of cuprate parent states [Science 377, 1192 (2022)], we extend the ab initio quantum embedding theory to particle-number symmetry broken systems. In this talk, we will describe the application of the ab initio superconductivity formalism to the doped cuprates, without resorting to simplified models. We will show that the superconducting orders can spontaneously emerge not only in model systems but also in realistic materials with doping. We find that the multi-orbital d-wave superconducting magnitude increases with the external pressure applied to crystals and the trend connects to the magnetic degrees of freedom. Furthermore, we also explore the buffer layer effect in the single-layer and infinite-layer compounds. The work provides a promising route to study material-specific physics in high-temperature superconductivity.