The structure of the icosahedral zinc quasicrystals was investigated using ab initio structure determination and local density elimination (LDE) method. LDE was performed with (14)6 grid points using x-ray data set consisting of 238 independent reflections. The initial electron density was calculated from a set of structure factors with random phases. Multi-solution strategy was also employed and 28 resultant electron densities were found to be identical out of 100 trials.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics