1. Development of an Icosahedral Quasicrystal and Two Approximants in the Ca-Au-Sn System: Syntheses and Structural Analyses.
- Author
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Lin, Qisheng and Corbett, John D.
- Subjects
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QUASICRYSTALS , *CONDENSED matter , *TIN , *GOLD , *INORGANIC chemistry - Abstract
The realm of Tsai-type (YCd6-type) quasicrystals(QCs) and their approximants(ACs) continues to expand to the east in the periodic table. The heavy tetrel Sn is now one of the major components in the new Ca15.0(5)Au60.0(4)Sn25.0(2)(atom %) icosahedral QC and in the corresponding 1/1 and 2/1 ACs. (The 2/1 AC with Yb is also established.) Single-crystal X-ray diffraction on a 1/1 AC gives the refined formula of Ca3Au14.36(3)Sn4.38(5), in space group lm3, a = 15.131(1) Å, whereas a representative 2/1 AC gives Ca13Au47.2(1)Sn28.1(1), Pa3 and a 24.444(1) Å. Both ACs contain five-shell multiply endohedral triacontahedral clusters as the common building blocks, as in the parent structure of YCd6. The 2/1 AC also contains four Ca2-dimer-centered prolate rhombohedra (PRs) in the unit cell. The long-range order between triacontahedra and PRs in the 2/1 AC is the same as those in Bergman-type 2/1 ACs. A TB-LMTO-ASA calculation on an art ideal 1/1 AC model reveals a shallow pseudogap in the total densities-of-states data around the Fermi energy, as expected. The depth of the pseudogap is considerably enhanced through interactions between the Ca 3d states and s and p stales of Au and Sn. [ABSTRACT FROM AUTHOR]
- Published
- 2010
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