One-dimensional alkali-doped C-60 chains encapsulated in BN nanotubes

Article

关键词: BORON-NITRIDE NANOTUBES;    ELECTRON-PHONON INTERACTIONS;    CARBON NANOTUBE;    SUPERCONDUCTIVITY;    MICROTUBULES;   

DOI  :  10.1103/PhysRevB.83.193406

来源: SCIE

【 摘 要 】

We study the energetics, electronic structures, and electron-phonon couplings of a one-dimensional potassium-doped C-60 chain encapsulated in a boron nitride nanotube using the framework of the density-functional theory. We demonstrate that the reaction of potassium doping is exothermic and the resulting material is one-dimensional metal where conducting electrons are only in the C-60 chain. Interestingly, the Fermi-level density of states has a peculiar pressure dependence and can be larger than those in the three-dimensional alkali-doped fullerene compounds, indicating the possibility of various phase transitions. We also discuss the electron-phonon couplings and the possibility of superconductivity.

【 授权许可】

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