Electron density of icosahedral Zn-Mg-Y quasicrystals determined by a six-dimensional maximum entropy method

Akui Yamamoto, Steffen Weber, Akira Sato, Katsuo Kato, Ken Ichi Ohshima, An Pang Tsai, Akio Nlikura, Kenji Hlraga, Akihisa Inoue, Tsuyoshi Masumoto

    Research output: Contribution to journalArticlepeer-review

    24 Citations (Scopus)

    Abstract

    The maximum entropy method (MEM) in six-dimensional space was applied to the crystal structure determination of a newly found Zn-Mg-Y quasicrystal with superspace group Fm35. This has a prominent character in the electron density map. Large occupation domains are located at vertex, edge-centre and body-centre positions of the icosahedral lattice similar to Al-Cu-Li but they have a complicated shape. The map shows strong peaks at small areas in the domains at the even-parity vertex and edge centre, leading to a completely new structure. The application of the similarity transformation to the calculation of the electron density map by MEM is discussed.

    Original languageEnglish
    Pages (from-to)247-254
    Number of pages8
    JournalPhilosophical Magazine Letters
    Volume73
    Issue number5
    DOIs
    Publication statusPublished - 1996 May

    ASJC Scopus subject areas

    • Condensed Matter Physics

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