Localised Phonon Modes at LiNbO3(0001) Surfaces

S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, Ferroelectrics 419 (2011) 1–8.

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Abstract
The vibrational properties of the LiNbO3 (0001) surfaces have been investigated both from first principles and with Raman spectroscopy measurements. Firstly, the phonon modes of bulk and of the (0001) surface are calculated by means of the density functional theory. Our calculations reveal the existence of localised vibrational modes both at the positive and at the negative surface. The surface vibrations are found at energies above and within the bulk bands. Phonon modes localised at the positive and at the negative surface differ substantially. In a second step, the Raman spectra of LiNbO3 bulk and of the two surfaces have been measured. Raman spectroscopy is shown to be sensitive to differences between bulk and surface and between positive and negative surface. The calculated and measured frequencies are in agreement within the error of the method.
Publishing Year
Journal Title
Ferroelectrics
Volume
419
Issue
1
Page
1-8
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Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG. Localised Phonon Modes at LiNbO3(0001) Surfaces. Ferroelectrics. 2011;419(1):1-8. doi:10.1080/00150193.2011.594396
Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., & Schmidt, W. G. (2011). Localised Phonon Modes at LiNbO3(0001) Surfaces. Ferroelectrics, 419(1), 1–8. https://doi.org/10.1080/00150193.2011.594396
@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Localised Phonon Modes at LiNbO3(0001) Surfaces}, volume={419}, DOI={10.1080/00150193.2011.594396}, number={1}, journal={Ferroelectrics}, publisher={Informa UK Limited}, author={Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and Zrenner, Artur and Schmidt, W. G.}, year={2011}, pages={1–8} }
Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and W. G. Schmidt. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics 419, no. 1 (2011): 1–8. https://doi.org/10.1080/00150193.2011.594396.
S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Localised Phonon Modes at LiNbO3(0001) Surfaces,” Ferroelectrics, vol. 419, no. 1, pp. 1–8, 2011.
Sanna, S., et al. “Localised Phonon Modes at LiNbO3(0001) Surfaces.” Ferroelectrics, vol. 419, no. 1, Informa UK Limited, 2011, pp. 1–8, doi:10.1080/00150193.2011.594396.

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