Lattice dynamics of the h-BN monolayer and single-walled BN nanotubes using a tight-binding model

Eduardo Hernandez; Daniell Sanchez-Portal

doi:10.1117/12.501470

29 April 2003 Lattice dynamics of the h-BN monolayer and single-walled BN nanotubes using a tight-binding model

Eduardo Hernandez, Daniell Sanchez-Portal

Proceedings Volume 5118, Nanotechnology; (2003) https://doi.org/10.1117/12.501470
Event: Microtechnologies for the New Millennium 2003, 2003, Maspalomas, Gran Canaria, Canary Islands, Spain

Abstract

Vibrational spectroscopy, and in particular, Raman spectroscopy, has been frequently used to characterise carbon nanotube samples, and has even been used recently on individual single-walled carbon nanotubes, where it has demonstrated its capability for providing a full structural determination. Single-walled nanotubes of BN can now also be readily synthesised, and in this context it is interesting to consider the application of vibrational spectroscopy for the characterisation of BN nanotube samples. In this talk I will present results from a theoretical study of the vibrational properties of a BN mono-layer and of a series of single-walled BN nanotubes. These results have been obtained using a non-orthogonal tight-binding model, which is complemented with an electrostatic model in order to take into account the polar nature of the material. I will discuss a number of properties derived from this study, such as phonon band structure and density of states, elastic constants, sound velocities, etc. I will also establish a comparison between the predictions derived from the zone-folding approach, frequently used in the analysis of Raman spectra of carbon nanotubes, and the direct calculation for BN nanotubes.

Citation Download Citation

Eduardo Hernandez and Daniell Sanchez-Portal "Lattice dynamics of the h-BN monolayer and single-walled BN nanotubes using a tight-binding model", Proc. SPIE 5118, Nanotechnology, (29 April 2003); https://doi.org/10.1117/12.501470

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