2006/09/30 by K. Ranjan, Ranjan, K., N. Kaurav +8
Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Fullerene Chemistry and Applications #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0610008
21 pages, 19 references, 11 figs
arxiv created 2006/09/30 · openalex publication_date 2006/09/30 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.