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Transfert de charge dans les composés d'insertion du graphite et du fullerène

Abstract : In this thesis we study the electronical properties and in particular the charge transfer of some grpahite and fullerene intercalation compounds (LiC6CaC6, SrC6, BaC6, SmC6, EuC6, YbC6, RbR8, CsC8, KC2, KC3, KC6 et KC8, Cs3C60, Rb3C60, K3C60, RbK2C60, CsK2C60, KRb2C60, CsRb2C60 et RbCs2C60). The energy (kinetic + potential+Madelung) of the compounds is calculated as a function of the ionicity, the minimum of energy gives the value of the ionicity corresponding to the most stable state which corresponds to the charge transfer. The charge transfer is calculated for all those compounds. The cohesive energy is also calculated (by taking in account the different values corresponding to the successive transformations of the compound during his formation. Finally the evolution of charge transfer as a function of physical parameters (intercalated metal concentration and critical temperature of superconductivity) is studied
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  • HAL Id : tel-01748955, version 1



Sandrine Doyen-Lang. Transfert de charge dans les composés d'insertion du graphite et du fullerène. Matière Condensée [cond-mat]. Université Paul Verlaine - Metz, 1993. Français. ⟨NNT : 1993METZ003S⟩. ⟨tel-01748955⟩



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