Ab Initio Structure Determination of Icosahedral Zn-Mg-Ho Quasicrystals by Density Modification Method
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 suggested Ho sites in the 3D structure are consistent with the results of magnetic diffuse scattering [T. J. Sato et al., Phys. Rev. Lett. 81, 2364 (1998)].
- Publication:
-
Physical Review Letters
- Pub Date:
- January 2001
- DOI:
- 10.1103/PhysRevLett.86.236
- Bibcode:
- 2001PhRvL..86..236T