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Optical and Vibrational Properties of Boron Nitride Nanotubes

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B-C-N Nanotubes and Related Nanostructures

Part of the book series: Lecture Notes in Nanoscale Science and Technology ((LNNST,volume 6))

Abstract

As for carbon nanotubes, optical and vibrational spectroscopy – in particular Raman and luminescence spectroscopy – play an important role for the characterization of BN nanotubes. In this chapter we review, from a theoretical view point, the different spectroscopic techniques that are currently used for BN nanotubes and make a close link with available experimental data. We summarize experimental and theoretical data on optical absorption spectroscopy, luminescence spectroscopy, electron-energy loss spectroscopy, Raman spectroscopy, and infrared (IR) absorption spectroscopy. The combination of all those methods allows for a fairly complete characterization of the electronic structure and the vibrational properties of BN tubes. Possible applications in optoelectronic devices are briefly discussed.

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Notes

  1. 1.

    Much can be written about the exact value of the gap. For the dispersion in Fig. 1, we have used DFT and LDA for the exchange-correlation functional. This yields a gap of 4.5 eV. The exact value of the bandgap is discussed further in the text.

  2. 2.

    The code Yambo [32] that was used for the black curve in Fig. 7 uses norm-conserving pseudopotentials, while VASP [33, 34] (red curve in Fig. 7) uses the projector-augmented-wave (PAW) method [35]. PAW was also used in [21].

  3. 3.

    The fact that for zigzag and chiral tubes, the IR-active modes are a subset of the Raman-active modes is different in BN tubes and C tubes and is due to the reduced symmetry (= less strict selection rules) for BN tubes. In carbon tubes, only the set of IR-active modes of chiral tubes partially overlaps with the set of Raman-active modes [96]. For zigzag and armchair C tubes, the sets of Raman- and IR-active modes are disjoint.

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Acknowledgments

We acknowledge funding by Spanish MEC (FIS2007-65702-C02-01), Grupos Consolidados UPV/EHU of the Basque Country Government (IT-319-07), and European Community through e-I3 ETSF project (INFRA-211956); NoE Nanoquanta (NMP4-CT-2004-500198) and SANES (NMP4-CT-2006-017310). All this work started as an activity of the European research and training network COMELCAN and benefited a lot from fruitful collaborations and discussions with A. Marini, M. Grüning, C. Attaccalite, F. Mauri, M. Lazzeri, R. Arenal, P. Jaffrennou, and A. Loiseau. A.R. acknowledge Profs. S.G. Louie, M.L. Cohen, and A. Zettl for fundamental collaborations and support while we started the field of BN nanotubes that now is the scope of the present book chapter.

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  1. Institute for Electronics, Microelectronics, and Nanotechnology (IEMN), CNSR-UMR 8520, 60069, 59652, Villeneuve d’Ascq Cedex, France

    Ludger Wirtz

  2. European Theoretical Spectroscopy Facility (ETSF), Departamento de Física de Materiales, Universidad del País Vasco, Edificio Korta, Avda, Tolosa 72, 20018, San Sebastián, Spain

    Angel Rubio

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Wirtz, L., Rubio, A. (2009). Optical and Vibrational Properties of Boron Nitride Nanotubes. In: B-C-N Nanotubes and Related Nanostructures. Lecture Notes in Nanoscale Science and Technology, vol 6. Springer, New York, NY. https://doi.org/10.1007/978-1-4419-0086-9_5

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