We studied by ab initio molecular dynamics the modifications induced on fullerite by irradiation with ultrashort, very intense laser pulses. We identified the threshold for the nonthermal cage opening of the C60 molecules that is the analog of the laser-induced nonthermal melting observed in semiconductors and graphite. The new phase formed by the nonthermal coalescence of the C60 molecules is fluidlike and mainly formed by small chains of twofold-coordinated atoms. An estimate of the threshold laser fluence for the nonthermal transformation is given.
Gambirasio, A., Bernasconi, M., Benedek, G., Silvestrelli, P. (2000). Ab initio simulation of laser-induced transformations in fullerite. PHYSICAL REVIEW. B, CONDENSED MATTER, 62(19), 12644-12647 [10.1103/PhysRevB.62.12644].
Ab initio simulation of laser-induced transformations in fullerite
BERNASCONI, MARCO;BENEDEK, GIORGIO;
2000
Abstract
We studied by ab initio molecular dynamics the modifications induced on fullerite by irradiation with ultrashort, very intense laser pulses. We identified the threshold for the nonthermal cage opening of the C60 molecules that is the analog of the laser-induced nonthermal melting observed in semiconductors and graphite. The new phase formed by the nonthermal coalescence of the C60 molecules is fluidlike and mainly formed by small chains of twofold-coordinated atoms. An estimate of the threshold laser fluence for the nonthermal transformation is given.
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