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À propos de : Dimensional Dependence of Electronic Structure of Fullerene Polymers        

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  • Dimensional Dependence of Electronic Structure of Fullerene Polymers
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  • Fullerene polymers made of C60 are systematically investigated by means of a first-principles pseudopotentialapproach within the local density approximation of the density functional theory. We assume 10 differentstructures of fullerene polymers. The first three are C60 polymer networks cross-linked by [2+2] cycloadditionalfour-membered rings, and the other seven are composed of peanut-shaped fused C60 polymer chains cross-linked by either seven-membered rings or eight-membered rings. Owing to the overlap of wave functions aswell as the hybrid networks of sp2-like (3-fold coordinated) and sp3-like (4-fold coordinated) carbon atoms,the electronic structure is considerably different from each other. We find that the resulting electronic structureis either semiconductor or semimetal depending on the spatial dimensionality of materials.
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