arXiv · 0911.2239
Phonon dispersion and low energy anomaly in CaC$_6$
Abstract
We report measurements of phonon dispersion in CaC$_6$ using inelastic X-ray and neutron scattering. We find good overall agreement, particularly in the 50 meV energy region, between experimental data and first-principles density-functional-theory calculations. However, on the longitudinal dispersion along the $(1 1 1)$ axis of the rhombohedral representation, we find an unexpected anti-crossing with an additional longitudinal mode, at about 11 meV. At a comparable energy, we observe also unexpected intensity on the in-plane direction. These results resolve the previous incorrect assignment of a longitudinal phonon mode to a transverse mode in the same energy range. By calculating the electron susceptibility from first principles we show that this longitudinal excitation is unlikely to be due to a plasmon and consequently can probably be due to defects or vacancies present in the sample.
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Matteo D'Astuto, Matteo Calandra, N. Bendiab, G. Loupias, Francesco Mauri, Shuyun Zhou, Jeff Graf, Alessandra Lanzara, N. Emery, C. Herold, P. Lagrange, D. Petitgrand, Moritz Hoesch. 2009-11-11. Phonon dispersion and low energy anomaly in CaC$_6$. https://doi.org/10.1103/physrevb.81.104519
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