%0 Journal Article
%T Computation of the infrared active modes in single-walled boron nitride nanotube bundles
%+ Département de Physique
%+ Laboratoire Charles Coulomb (L2C)
%A Fakrach, B.
%A Rahmani, A.
%A Chadli, H.
%A Sbai, K.
%A Benhamou, M.
%A Bentaleb, M.
%A Bantignies, Jean-Louis
%A Sauvajol, Jean-Louis
%< avec comité de lecture
%Z L2C:12-223
%@ 0953-8984
%J Journal of Physics: Condensed Matter
%I IOP Publishing
%V 24
%P 335304
%8 2012-07-27
%D 2012
%R 10.1088/0953-8984/24/33/335304
%Z Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Journal articles
%X In this work, the infrared active modes are computed for homogeneous bundles of single-walled boron nitride nanotubes (BBNNTs), using the so-called spectral moments method. The dependence of the wavenumber on these modes in terms of diameters, lengths, and numbers of tubes, is investigated. To this end, use is made of a Lennard-Jones potential for describing the van der Waals interactions between tubes in a bundle. We find that, for a finite homogeneous bundle, additional modes appear as a specific signature. Finally, these results are useful for the interpretation of the experimental infrared spectra of BBNNTs.
%G English
%L hal-00753011
%U https://hal.science/hal-00753011
%~ CNRS
%~ L2C
%~ MIPS
%~ UNIV-MONTPELLIER
%~ UM-2015-2021