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The low-energy dielectric properties of CaC 6-a representative graphite intercalated compound (GIC)-were investigated by ab initio time-dependent density functional theory calculations with full inclusion of local field effects. The calculations predict the existence of several kinds of plasmons in CaC 6 with energy below 10 eV. The mode with the largest energy is a conventional ''πp> mode strongly dispersing in the hexagonal basal plane and almost nondispersing in the perpendicular direction. In the 2.3-3 eV energy range, we find a long-lived intraband plasmon with negative (positive) dispersion with momentum transfer in (perpendicular to) the basal plane. In the 0-1.5 eV energy range, a mode with linear soundlike dispersion along all three high-symmetry directions is observed. All the three modes present strong anisotropy originated from the band structure. The physical origin of these excitation modes is discussed in terms of intra- and interband transitions. The crucial role of local field effects in the propagation of the two lowest-energy modes at large momentum transfers and in the determination of its dispersion over extended momentum-transfer region is analyzed. © 2012 American Physical Society.We acknowledge partial support from the Basque Departamento de Educación, Universidades e Investigación (Grant No. IT-366-07), CONSOLIDER, and the Spanish Ministerio de Ciencia e Innovación (Grant No. FIS2010-19609-C02-00).Peer Reviewe

physical review b

Low-energy plasmonic structure in CaC<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>6</mml:mn></mml:msub></mml:math>

Low-energy plasmonic structure in CaC6