Structure and physical properties of Na4C60 under ambient and high pressures

Y. Kubozono, Y. Takabayashi, T. Kambe, S. Fujiki, S. Kashino, S. Emura

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16 Citations (Scopus)


The structure and physical properties of two-dimensional polymeric Na4C60 (body-centered monoclinic, space group 12/m) are studied in a wide temperature region from 12 to 300 K at 1 bar, and in a pressure region up to 53 kbar at 300 K. The temperature dependence of lattice constants suggests a structural anomaly below 100 K where the variation of spin susceptibility is observed from electron spin resonance. The thermal expansion of the unit-cell volume V is smaller than that of monomeric Rb3C60 and K3C60. The compressibility of c is larger than that of a and b, which can be well explained by the repulsion between Na ions. The compressibility of the center-to-center distance in the (101) plane is ∼ 1/3 times smaller than that in the (101) plane, which can be well explained by the formation of the polymer chains. Further, a possibility of a three-dimensional polymerization is discussed on the basis of the pressure dependence of C60···C60 distances.

Original languageEnglish
Article number045418
Pages (from-to)454181-454189
Number of pages9
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number4
Publication statusPublished - 2001

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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