Energetics and electronic structures of potassium-intercalated C-60 peapods

Article

关键词: WALLED CARBON NANOTUBES;    ENCAPSULATED C-60;    SUPERCONDUCTIVITY;    PSEUDOPOTENTIALS;    FULLERENES;    GAS;   

DOI  :  10.1103/PhysRevB.72.153409

来源: SCIE

【 摘 要 】

Total-energy electronic-structure calculations were performed to explore energetics and electronic structures of a one-dimensional array of C-60 and potassium atoms encapsulated in metallic nanotubes. We find that the electron states of the potassium intercalated peapods depend on the number of potassium atoms intercalated. Intercalation induces substantial hybridization between pi electron states of C-60 and the nanotube. The local density of states around the Fermi level shows that the potassium intercalated C-60-peapod is a novel metal whose carriers are distributed on both the C-60 and the nanotube.

【 授权许可】

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