Manipulation of the high-order harmonic generation in monolayer hexagonal boron nitride by two-color laser field.

We theoretically investigate the high-order harmonic generation (HHG) of the monolayer hexagonal boron nitride by two-color laser pulses, based on the ab initio time-dependent density-functional theory. We find that the waveform of the two-color laser field can dramatically control the harmonic spectrum. The two-color laser field can enhance the harmonic radiation more efficiently than the monochromatic pulse laser with the same incident energy. We investigate the influence of incident laser pulse parameters on the harmonic radiation, such as the relative phase of the two-color field, the amplitude ratio between component electric fields, and the laser orientation. We show that the HHG spectrum is controlled by both the electric field and the vector potential. The electronic band structure and the laser-matter energy transfer play an important role in determining the laser polarization for optimal HHG in the hBN crystal. Our work supplies a scheme to manipulate HHGs in two-dimensional materials and provides a potential methodology for the generation of intense extreme-ultraviolet pulses.

Multiscale numerical tool for studying nonlinear dynamics in solids induced by strong laser pulses.

Strong-field phenomena in solids exhibit extreme high-order nonlinear optical effects, which have triggered many theoretical and experimental investigations. However, there is still a lack of highly efficient numerical tools to simulate the relevant phenomena. In this paper, a versatile multiscale numerical tool set is developed for studying high-order nonlinear optical effects in solids, generated by ultrafast strong laser pulses. This tool is based on the tight-binding model approximation of the crystal structure, the related parameters of which are obtained from the density functional theory calculations. And the nonlinear effects are explored by solving the Maxwell equations coupled with the semiconductor Bloch equations. Our numerical tool can provide not only basic electronic structures and optical responses of the crystal, but also the real-time evolution of the macroscopic electromagnetic fields and the current density. The high-performance parallel computing and the interpolation method in our tool make it possible to study the strong-field nonlinear responses and propagation effects on a large spatial and temporal scale. Finally, three theoretical or experimental results published recently are satisfactorily reproduced, showing a good performance of the current toolbox.