One-dimensional alkali-doped C60 chains encapsulated in BN nanotubes

Takashi Koretsune, Susumu Saito, Marvin L. Cohen

研究成果: Article査読

2 被引用数 (Scopus)

抄録

We study the energetics, electronic structures, and electron-phonon couplings of a one-dimensional potassium-doped C60 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 C60 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.

本文言語English
論文番号193406
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
83
19
DOI
出版ステータスPublished - 2011 5月 20
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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