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

Takashi Koretsune, Susumu Saito, Marvin L. Cohen

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number193406
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume83
Issue number19
DOIs
Publication statusPublished - 2011 May 20

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'One-dimensional alkali-doped C<sub>60</sub> chains encapsulated in BN nanotubes'. Together they form a unique fingerprint.

Cite this