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Please use this identifier to cite or link to this item: http://hdl.handle.net/10119/4619

Title: Pressure-induced structural phase transition in fullerides doped with rare-earth metals
Authors: H. Chi, Dam
Iwasa, Y.
Uehara, K.
Takenobu, T.
Ito, T.
Mitani, T.
Nishibori, E.
Takata, M.
Sakata, M.
Ohishi, Y.
Kato, K.
Kubozono, Y.
Issue Date: 2003-03-03
Publisher: American Physical Society
Magazine name: Physical Review B
Volume: 67
Number: 9
Start page: 094101-1
End page: 094101-9
DOI: 10.1103/PhysRevB.67.094101
Abstract: Rare-earth-metal-doped fullerides with nominal composition of R_3C_<70> (R=Sm, Eu) adopt a pseudomonoclinic structure in which C_<70> 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, C_70 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 C_<70> compounds.
Rights: Dam Hieu Chi, Y. Iwasa, K. Uehara, T. Takenobu, T. Ito, T. Mitani, E. Nishibori, M. Takata, M. Sakata, Y. Ohishi, K. Kato, and Y. Kubozono., Physical Review B, 67(9), 2003, 094101-1-094101-9. Copyright 2003 by the American Physical Society. http://link.aps.org/abstract/PRB/v67/e094101
URI: http://hdl.handle.net/10119/4619
Material Type: publisher
Appears in Collections:a10-1. 雑誌掲載論文 (Journal Articles)

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