Vibrational properties of boron nitride nanotubes: Effects of finite length and bundling

Ludger Wirtz; Angel Rubio

doi:10.1117/12.499369

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29 April 2003 Vibrational properties of boron nitride nanotubes: Effects of finite length and bundling

Ludger Wirtz, Angel Rubio

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Proceedings Volume 5118, Nanotechnology; (2003) https://doi.org/10.1117/12.499369
Event: Microtechnologies for the New Millennium 2003, 2003, Maspalomas, Gran Canaria, Canary Islands, Spain

Abstract

We present ab initio calculations of phonons in single-wall boron nitride nanotubes. Raman and infrared active modes of isolated and infinitely long tubes are evaluated according to the non-symmorphic rod groups of BN nanotubes. For tubes of finite length, the selection rules are less restrictive and give rise to additional modes which may be observed in Raman and IR spectroscopy with an intensity depending on the tube length. Bundling of tubes is shown to have little effect on the phonon frequencies. However, arranging tubes in a large periodic array (larger than the wave-length of incoming light) gives rise to a strong frequency shift (LO-TO splitting) of some modes due to the establishing of a macroscopic electric field. Modes of A₁ symmetry experience a shift for laser light along the tube axis and E₁ modes are split for light incidence in the perpendicular direction.

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Ludger Wirtz and Angel Rubio "Vibrational properties of boron nitride nanotubes: Effects of finite length and bundling", Proc. SPIE 5118, Nanotechnology, (29 April 2003); https://doi.org/10.1117/12.499369

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