High-order harmonic generation in semiconductors driven at near- and mid-infrared wavelengths

D Freeman and A Kheifets and S Yamada and A Yamada and K Yabana, PHYSICAL REVIEW B, 106, 075202 (2022).

DOI: 10.1103/PhysRevB.106.075202

We study high-order harmonics generation (HHG) in crystalline silicon and diamond subjected to near-and mid-infrared laser pulses. We employ time-dependent density functional theory and solve the time-dependent Kohn-Sham equation in the single-cell geometry. We demonstrate that clear and clean HHG spectra can be generated with careful selection of the pulse duration. In addition, we simulate dephasing effects in a large silicon supercell through a displacement of atomic positions prepared by a molecular dynamics simulation. We compare our results with the previous calculations by Floss et al. Phys. Rev. A 97, 011401(R) (2018) on diamond at 800 nm and by Tancogne-Dejean et al. Phys. Rev. Lett. 118, 087403 (2017) on Si at 3000 nm.

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