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American Physical Society, Physical review B, 10(81), 2010

DOI: 10.1103/physrevb.81.104519

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Phonon dispersion and low-energy anomaly inCaC6from inelastic neutron and x-ray scattering experiments

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This paper is available in a repository.

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Abstract

We report measurements of phonon dispersions in CaC$_6$ using inelastic X-ray and neutron scattering. We found good overall agreement, particularly in the 50 meV energy region, between the data and the first-principles density-functional-theory calculations. However, on the longitudinal dispersion along the c-axis of the hexagonal representation, we found 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. This result could help to explain the incorrect interpretation of previous measurements of phonon dispersion in CaC$_6$, which assign a longitudinal character 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 it is probably due to defects or vacancies present in the sample.