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Phys. Rev. Lett. 92, 117401 (2004) [4 pages]

Selective Cap Opening in Carbon Nanotubes Driven by Laser-Induced Coherent Phonons

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Traian Dumitrică1,2, Martin E. Garcia1,3, Harald O. Jeschke4, and Boris I. Yakobson2
1Institut für Theoretische Physik, Freie Universität Berlin, Berlin, Germany
2Center for Nanoscale Science and Technology, Rice University, Houston, Texas 77251, USA
3Advanced Materials Department, IPICYT, Camino Presa San José 2055, 78216, San Luis Potosí, SLP, Mexico
4Department of Physics & Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA

Received 20 August 2003; published 16 March 2004

We demonstrate the possibility of a selective nonequilibrium cap opening of carbon nanotubes as a response to femtosecond laser excitation. By performing molecular dynamics simulations based on a microscopic electronic model we show that the laser-induced ultrafast structural changes differ dramatically from the thermally induced dimer emission. Ultrafast bond weakening and simultaneous excitation of two coherent phonon modes of different frequencies, localized in the spherical caps and cylindrical nanotube body, are responsible for the selective cap opening.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.92.117401
DOI:
10.1103/PhysRevLett.92.117401
PACS:
78.70.–g, 52.38.Mf, 61.46.+w, 61.82.–d
 
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