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

Hirohiko Kono, Katsunori Nakai, Naoyuki Niitsu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

We theoretically investigated the stability of highly charged fullerene cations produced with an ultrashort intense near-infrared (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 C602+. The field-induced large-amplitude vibration of the hg(1) mode persists for a rather long period. In conclusion, C 60 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 ∼ Tvib/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.

Original languageEnglish
Title of host publicationICONO 2007
Subtitle of host publicationPhysics of Intense and Superintense Laser Fields; Attosecond Pulses; Quantum and Atomic Optics; and Engineering of Quantum Information
DOIs
Publication statusPublished - 2007 Nov 26
EventICONO 2007: Physics of Intense and Superintense Laser Fields; Attosecond Pulses; Quantum and Atomic Optics; and Engineering of Quantum Information - Minsk, Belarus
Duration: 2007 May 282007 Jun 1

Publication series

NameProceedings of SPIE - The International Society for Optical Engineering
Volume6726
ISSN (Print)0277-786X

Other

OtherICONO 2007: Physics of Intense and Superintense Laser Fields; Attosecond Pulses; Quantum and Atomic Optics; and Engineering of Quantum Information
CountryBelarus
CityMinsk
Period07/5/2807/6/1

Keywords

  • Ab initio molecular dynamics
  • Fullerene
  • Impulsive Raman excitation
  • Intense laser field

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Computer Science Applications
  • Applied Mathematics
  • Electrical and Electronic Engineering

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