High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors
High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors
High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional superconductors. With the recent interest in two-dimensional (2D) superconductors, we used a high-throughput workflow to screen over 1000 2D materials in the JARVIS-DFT database and performed electron-phonon coupling calculations, using the McMillan-Allen-Dynes formula to calculate the superconducting …