Coalescence of C60 Molecules in Fullerite by Intense Femtosecond Laser Pulses: An Ab-Initio Simulation

Abstract

We present an ab-initio molecular dynamics study of the modifications induced on fullerite by the irradiation with ultrashort very intense laser pulses. We identified the threshold for the non-thermal cage-opening of the C60 molecules which is the analogue of the laserinduced non-thermal melting observed in semiconductors and graphite. The new phase formed by the non-thermal coalescence of the C60 molecules is fluid-like and mainly formed by small chains of 2-fold coordinated carbon atoms.

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Correspondence to A. Gambirasio.

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Gambirasio, A., Bernasconi, M., Benedek, G. et al. Coalescence of C60 Molecules in Fullerite by Intense Femtosecond Laser Pulses: An Ab-Initio Simulation. MRS Online Proceedings Library 593, 57–62 (1999). https://doi.org/10.1557/PROC-593-57

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