Ultrafast reconstruction of graphite by irradiating with highly charged ions

Irradiating with highly charged Ar ions (Ar8+) causes an unanticipated structural reconstruction of graphite [T. Meguro , Appl. Phys. Lett. 79, 3866 (2001)] with a particular incidence energy of 400 eV. To analyze this result, it is necessary to take into account charge transfer dynamics and ion dynamics simultaneously, which is not included in conventional first-principles scheme. An application of the time-dependent density functional theory coupled with molecular dynamics showed a variety of reconstructions (single vacancies, interlayer bridges, and sp(3)-like bonds) depending on Ar8+ incidence energies and should stimulate further research over a wide range of the incident energies.