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MM: Fachverband Metall- und Materialphysik

MM 45: Nanomaterials - Nanospheres & Fibres

MM 45.5: Vortrag

Mittwoch, 13. März 2013, 17:30–17:45, H26

Ultrashort laser-pulse excitation of a (5,0) zigzag BN nanotube — •Bernd Bauerhenne, Eeuwe Zijlstra, and Martin Garcia — Theoretische Physik - Universität Kassel - Heinrich-Plett-Str. 40, 34132 Kassel, Germany

BN nanotubes are isostructual to carbon nanotubes with boron and nitrogen atoms occupying the even and odd sublattices, respectively. In this work we investigate the laser excitation of a (5,0) zigzag BN nanotube using ab initio molecular dynamics simulations. We also analyse the mechanical properties of the nanotube in the laser-excited electronic state. We obtain a Young modulus of 920 GPa in the electronic ground state and show that this value decreases with increasing laser fluence. Our molecular dynamics simulations show that three optical phonon modes are simultaneously excited. We identify these three modes as the radial breathing mode, the radial buckling mode, and the longitudinal bond stretching mode. We demonstrate that it is possible to steer these excitation of the three modes by using a femtosecond-laser pulse train.