Ab initio molecular dynamics of highly charged fullerene cations in intense near-infrared laser fields

Hirohiko Kono; Katsunori Nakai; Naoyuki Niitsu

doi:10.1117/12.750116

19 July 2007 Ab initio molecular dynamics of highly charged fullerene cations in intense near-infrared laser fields

Hirohiko Kono, Katsunori Nakai, Naoyuki Niitsu

Proceedings Volume 6726, ICONO 2007: Physics of Intense and Superintense Laser Fields; Attosecond Pulses; Quantum and Atomic Optics; and Engineering of Quantum Information; 672606 (2007) https://doi.org/10.1117/12.750116
Event: The International Conference on Coherent and Nonlinear Optics, 2007, Minsk, Belarus

Abstract

We theoretically investigated the stability of highly charged fullerene cations produced with an ultrashort intense nearinfrared (IR) laser pulse (light intensity I~ 5 × 10¹⁴ W/cm² and wavelength λ ~ 1800 nm). The effects of nonlinear interactions with near-IR pulses are taken into account by combining an ab initio molecular dynamics method with an time-dependent adiabatic state approach. The results indicate that large-amplitude vibration with energy of > 10 eV is induced by impulsive Raman excitation in the delocalized h_g(1)-like mode of C₆₀ ^z+. The field-induced large-amplitude vibration of the h_g(1) mode persists for a rather long period. In conclusion, C₆₀ and its cations created upon ionization are extremely robust against field-induced structural deformation. We found that the acquired vibrational energy is maximized at T_p ~ _vib/2, where T_p is the pulse length and T_vib is the vibrational period of the h_g(1) mode. We confirmed that the vibrational energy deposited in C₆₀ can be controlled by a pulse train, i.e., by changing the intervals between pulses. Vibrational mode selectivity is also achieved by adjusting the pulse intervals.

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Hirohiko Kono, Katsunori Nakai, and Naoyuki Niitsu "Ab initio molecular dynamics of highly charged fullerene cations in intense near-infrared laser fields", Proc. SPIE 6726, ICONO 2007: Physics of Intense and Superintense Laser Fields; Attosecond Pulses; Quantum and Atomic Optics; and Engineering of Quantum Information, 672606 (19 July 2007); https://doi.org/10.1117/12.750116

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