First-principles electron dynamics control simulation of diamond under femtosecond laser pulse train irradiation

Abstract

A real-time and real-space time-dependent density functional is applied to simulate the nonlinear electron–photon interactions during shaped femtosecond laser pulse train ablation of diamond. Effects of the key pulse train parameters such as the pulse separation, spatial/temporal pulse energy distribution and pulse number per train on the electron excitation and energy absorption are discussed. The calculations show that photon–electron interactions and transient localized electron dynamics can be controlled including photon absorption, electron excitation, electron density, and free electron distribution by the ultrafast laser pulse train.