19 July 2007 Ab initio molecular dynamics of highly charged fullerene cations in intense near-infrared laser fields
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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 hg(1)-like mode of C60 z+. The field-induced large-amplitude vibration of the hg(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 Tp ~ vib/2, where Tp is the pulse length and Tvib is the vibrational period of the hg(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, Hirohiko Kono, Katsunori Nakai, Katsunori Nakai, Naoyuki Niitsu, 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); doi: 10.1117/12.750116; https://doi.org/10.1117/12.750116
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