Fig. 3: Time-dependent dynamics of the coupled phonons and electronic state, and the mode contributions to electronic state change.
From: Anti-Jahn-Teller effect induced ultrafast insulator to metal transition in perovskite BaBiO3
a Time evolution of Ag(25) mode nonlinearly coupled to the pumped Bu(26) mode for pumped pulse with a peak electric field of 9, 11, and 12 MV cm−1, respectively. The insert shows the time evolution of the pump pulse as high as 12 MV cm−1 and the corresponding pumped Bu(26) mode. b Time evolutions of the mean amplitudes of Ag(25) and Bu(26) modes at a peak electric field of 12 MV cm−1. The insert shows time dependence of band gap. HSE-calculated band structures for c equilibrium monoclinic BaBiO3 (red dash lines) and coupled excited modes (black lines), as well as d single excited Ag(25) mode (green lines) and single excited Bu(26) mode (light wine lines) with corresponding amplitudes given in parentheses for each mode as (Q(Ag(25)), Q(Bu(26))) in units of Å amu1/2. The Fermi level is set to zero.
