Pressure-induced structural phase transition in fullerides doped with rare-earth metals

Dam Hieu Chi, Y. Iwasa, K. Uehara, T. Takenobu, T. Ito, T. Mitani, E. Nishibori, M. Takata, M. Sakata, Y. Ohishi, K. Kato, Y. Kubozono

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

Rare-earth-metal-doped fullerides with nominal composition of R3C70 (R= Sm, Eu) adopt a pseudomono-clinic structure in which C70 dimers glued with rare-earth ions are involved. High-pressure powder x-ray diffraction experiments revealed that these compounds undergo a reversible first-order structural phase transition at 1.5 GPa, associated with 2.7%-2.9% reduction of the unit cell volume. Structural analyses showed that the rare-earth ions, which are located close to the edge of tetrahedral sites at ambient pressure, move back to the center of the tetrahedral sites. Simultaneously, C70 molecules are realigned so that the fivefold (long) axes are perpendicular to the (101) or (111)fcc plane at high pressure. The derived charge density map indicates that the transition is regarded as a structural change from dimers to three-dimensional polymers of fullerenes. These features are ascribed to the unique bonding nature in rare-earth C70 compounds.

Original languageEnglish
Article number094101
Pages (from-to)941011-941019
Number of pages9
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number9
Publication statusPublished - 2003 Mar 1
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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