Anomalous photo-induced band renormalization in correlated materials: Case study of Ta${}_2$NiSe${}_5$

Abstract

We investigate the anomalous photo-induced band renormalization in correlated materials, exemplified by the case of Ta${}_2$NiSe${}_5$. The manifestation of this anomaly is characterized by the alternating direction of band shift in response to changes in the laser parameters or electron momentum. We attribute the phenomena to the band inversion of the material and the selective excitation of a high-lying flat band, leading to the competition between the Hartree shift and the order collapse. These findings are based on {\it ab initio} determined effective model for Ta${}_2$NiSe${}_5$, in which we incorporate high-lying states and the time-dependent GW simulation to follow the non-equilibrium dynamics induced by the laser. Our findings reveal the sensitivity of the non-equilibrium electronic dynamics to the band structure and laser protocols, providing valuable guidance for the selection of suitable materials and lasers in the engineering of band structures.