Ab initio structure determination of icosahedral Zn-Mg-Ho quasicrystals bydensity modification method

Authors
Takakura, H Shiono, M Sato, TJ Yamamoto, A Tsai, AP
Citation
H. Takakura et al., Ab initio structure determination of icosahedral Zn-Mg-Ho quasicrystals bydensity modification method, PHYS REV L, 86(2), 2001, pp. 236-239
Citations number
29
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
86
Issue
2
Year of publication
2001
Pages
236 - 239
Database
ISI
SICI code
0031-9007(20010108)86:2<236:AISDOI>2.0.ZU;2-V
Abstract
A novel density modification method is applied for the first time to phase reconstruction of x-ray single crystal data of quasicrystals. The structure of icosahedral Zn-Mg-Ho quasicrystals has been determined by means of this ab initio structure determination within a framework of a 6D description. The location, size, and shape of the occupation domains are deduced. The su ggested Ho sites in the 3D structure are consistent with the results of mag netic diffuse scattering [T.J. Sate er al., Phys. Rev. Lett. 81, 2364 (1998 )].