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Ab Initio Structure Determination of Quasicrystals via Single Crystal X-Ray Diffraction

Published online by Cambridge University Press:  01 February 2011

Hiroyuki Takakura
Affiliation:
Advanced Materials Laboratory, NIMS, Tsukuba 305–0044, Japan
Akiji Yamamoto
Affiliation:
Advanced Materials Laboratory, NIMS, Tsukuba 305–0044, Japan
Marc de Boissieu
Affiliation:
LTPCM/ENSEEG, UMR CNRS 5614, F-38402 St Martin d'Hères, France
Taku J Sato
Affiliation:
Materials Engineering Laboratory, NIMS, Tsukuba 305–0047, Japan
An Pang Tsai
Affiliation:
Materials Engineering Laboratory, NIMS, Tsukuba 305–0047, Japan
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Abstract

A standard approach for structure solution of ordinary crystals begins with solving the phase problem. We show that a similar procedure can be taken even in the case of quasicrystals using single crystal X-ray diffraction by applying an ab initio structure determination method called the low density elimination method. The first picture of the occupation domains, which must be specified in a higher-dimensional structure determination of quasicrystals, is obtained from a phase-reconstructed density. We present six-dimensional densities determined by this method and give their interpretation for several different types of icosahedral quasicrystals.

Type
Research Article
Copyright
Copyright © Materials Research Society 2004

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