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Lattice dynamics of MC60 compounds in FCC phase

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arxiv cond-mat/0610008 v1 pith:ND4KXNUA submitted 2006-09-30 cond-mat.mtrl-sci

K. Ranjan , N. Kaurav , Dinesh Varshney , Keya Dharamvir , V. K. Jindal This is my paper
classification cond-mat.mtrl-sci
keywords calculationsbeendynamicsexpansionmc60phasethermalaccount
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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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