Abstract
High-order harmonic generation of the cyclo[18]carbon (C18) molecule under few-cycle circularly polarized laser pulse is studied by time-dependent density functional theory. Compared with the harmonic emission of the ring molecule C6H6 having similar ionization potential, the C18 molecule has higher efficiency and cutoff energy than C6H6 with the same laser field parameters. Further researches indicate that the harmonic efficiency and cutoff energy of the C18 molecule increase gradually with the increase of the laser intensity of the driving laser or decrease of the wavelength, both are larger than those of the C6H6 molecule. Through the analysis of the time-dependent evolution of the electronic wave packets, it is also found that the higher efficiency of harmonic generation can be attributed to the larger spatial scale of the C18 molecule, which leads to a greater chance for the ionized electrons from one atom to recombine with others of the parent molecule. Selecting the suitable driving laser pulse, it is demonstrated that high-order harmonic generation in the C18 molecule has a wide range of applications in producing circularly polarized isolated attosecond pulse.
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