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

Published online by Cambridge University Press:  10 February 2011

A. Gambirasio ,
M. Bernasconi ,
G. Benedek  and
P. L. Silvestrelli
A. Gambirasio
Affiliation:
INFM and Dipartimento di Scienza dei Materiali, Universitá di Milano-Bicocca, Via Cozzi 53, 1–20125 Milano, Italy
M. Bernasconi
Affiliation:
INFM and Dipartimento di Scienza dei Materiali, Universitá di Milano-Bicocca, Via Cozzi 53, 1–20125 Milano, Italy
G. Benedek
Affiliation:
INFM and Dipartimento di Scienza dei Materiali, Universitá di Milano-Bicocca, Via Cozzi 53, 1–20125 Milano, Italy
P. L. Silvestrelli
Affiliation:
INFM and Dipartimento di Fisica “G. Galilei”, Universitá di Padova, Via Marzolo 8, I–35131 Padova, Italy Max–Planck–Institut für Festkörperforschung, Heisenbergstr. 1, D–70569 Stuttgart, Germany
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 593: Symposium U – Amorphous & Nanostructured Carbon , 1999 , 57
Copyright
Copyright © Materials Research Society 2000

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References

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