Band Oscillation Correlated with Tc for Superconductors

Abstract

Previous theoretical studies on superconductivity were focused on the static states and adiabatic processes. Quantum mechanics simulations of time-dependent processes in superconductors were rarely performed previously. Here we use real-time time-dependent density functional theory to show a new phenomenon that the electron-phonon excitation is coherent and mode-selective, resulting in a periodic band oscillation. Surprisingly, the predicted oscillation frequency of charges or bands here are strongly correlated with a broad range of superconductivity transition temperatures of various main families of superconductors, including cuprates, Fe-based, hydrides, and WTe2. This shed light on the pairing mechanism in unconventional superconductors, paving the way for the design of higher temperature superconductors.