First principle calculation for high harmonic generation in diamond

Otobe, Tomohito; Yabana, Kazuhiro*; Iwata, Junichi*

Journal of Computational and Theoretical Nanoscience, 6(12), p.2545 - 2549, 2009/12

https://doi.org/10.1166/jctn.2009.1313

The nonlinear electron dynamics in the diamond crystal under the intense laser field is considered. We employ the time-dependent density-functional theory solving the time-dependent Kohn-Sham equation in real time and real space. We found the high harmonic generation from diamond up to 11th order with the laser intensity W/cm and the induced field from surface charge suppress the harmonic generation strongly.