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The phonon dispersion of wurtzite-ZnO revisited

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Serrano,  J.
Department Solid State Spectroscopy (Bernhard Keimer), Max Planck Institute for Solid State Research, Max Planck Society;

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Manjón,  F. J.
Former Scientific Facilities, Max Planck Institute for Solid State Research, Max Planck Society;

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Romero,  A. H.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Lauck,  R.
Scientific Facility Crystal Growth (Masahiko Isobe), Max Planck Institute for Solid State Research, Max Planck Society;

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Cardona,  M.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Serrano, J., Manjón, F. J., Romero, A. H., Ivanov, A., Lauck, R., Cardona, M., et al. (2007). The phonon dispersion of wurtzite-ZnO revisited. physica status solidi (b), 244(5), 1478-1482.


Cite as: https://hdl.handle.net/21.11116/0000-000E-B5EE-A
Abstract
Inelastic neutron scattering measurements are reported for the optical phonon branches of wurtzite ZnO. The experimental data are in excellent agreement with the ab-initio calculations for the phonon dispersion relations based on linear response theory. Discrepancies between theory and present data observed for the longitudinal optic branches along the [100] and [001] directions are attributed to an inaccurate description of the dielectric constant of ZnO and, consequently, the crystal- and electric-field splitting. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.