Raman spectra of BN-nanotubes: Ab-initio and bond-polarizability model calculations

Details Raman spectra of BN-nanotubes: Ab-initio and bond-polarizability model calculations Raman spectra of BN-nanotubes: Ab-initio and bond-polarizability model calculations

2005-04-14

arxiv.org/abs/cond-mat/0504365v1

Physics

Condensed Matter

Materials Science

4 pages, submitted to Phys. Rev. B rapid comm

Scientific paper

10.1103/PhysRevB.71.241402

We present it ab-initio calculations of the non-resonant Raman spectra of zigzag and armchair BN nanotubes. In comparison, we implement a generalized bond-polarizability model where the parameters are extracted from first-principles calculations of the polarizability tensor of a BN sheet. For light-polarization along the tube-axis, the agreement between model and it ab-initio spectra is almost perfect. For perpendicular polarization, depolarization effects have to be included in the model in order to reproduce the it ab-initio Raman intensities.

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