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Atomic structure and phasonmodes of the Sc-Zn icosahedral quasicrystal
SIMaP, GrenobleINP, CNRS,UJF , Saint Martin d'Hères Cedex, France..
IMRAM, Tohoku University.
Division of Applied Physics, Faculty of Engineering, Hokkaido University, Hokkaido 060-8628, Japan.
Institute of Materials Science and Technology, Vienna University of Technology, Vienna 1040, Austria.
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2016 (English)In: Acta Cryst. (2016). A72, s95, 2016, Vol. 72, p. 95-Conference paper, Poster (with or without abstract) (Refereed)
Abstract [en]

The detailed atomic structure of the binary icosahedrali-ScZn7.33 quasicrystal has been investigated by means ofhigh-resolution synchrotron single-crystal Xraydiffraction and absolute scale measurements of thediffuse scattering. The average atomic structure has beensolved using the measured Bragg intensity data based ona six dimensional model that is isostructural to thei-YbCd5.7 one. The structure is described with aquasiperiodic packing of large Tsai-type rhombictriacontahedron clusters and double Friauf polyhedra(DFP), both resulting from a close-packing of a large (Sc)and a small (Zn) atom. The difference in chemicalcomposition between i-ScZn7.33 and i-YbCd5.7 was foundto lie in the icosahedron shell and the DFP where ini-ScZn7.33 chemical disorder occurs on the large atomsites, which induces a significant distortion to thestructure units. The intensity in reciprocal space displaysa substantial amount of diffuse scattering with anisotropicdistribution, located around the strong Bragg peaks, thatcan be fully interpreted as resulting from phasonfluctuations, with a ratio of the phason elastic constantsK2 /K1 = -0.53, i.e. close to a three-fold instability limit.This induces a relatively large perpendicular (or phason)Debye-Waller factor, which explains the vanishing of”high-Qperp ” reflections.

Place, publisher, year, edition, pages
2016. Vol. 72, p. 95-
Series
Acta Cryst.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-338100OAI: oai:DiVA.org:uu-338100DiVA, id: diva2:1171413
Conference
30th European Crystallographic Meeting
Funder
Swedish Research CouncilAvailable from: 2018-01-07 Created: 2018-01-07 Last updated: 2018-01-07

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