Lattice dynamics of MC60 compounds in FCC phase

Details Lattice dynamics of MC60 compounds in FCC phase Lattice dynamics of MC60 compounds in FCC phase

2006-09-30

arxiv.org/abs/cond-mat/0610008v1

Physics

Condensed Matter

Materials Science

21 pages, 19 references, 11 figs

Scientific paper

Phonon dynamics of alkali metal atom, M doped in C60, forming MC60 solids in fcc phase has been studied. The calculations take into account Van-der-Waals and Coulomb interactions for M-C60 and C60-C60 and show fairly good agreement with reported neutron scattering results for RbC60. The calculations have also been done following Rigid Shell Model (RSM). We also perform calculations for specific heat, Gruneisen parameter, thermal expansion and thermal expansion coefficient.

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