Crystal–quasicrystal transition in the Al–Cu–Fe system: Analysis of the local atomic structure

摘要

Quasicrystals (quasiperiodic crystals) are attracting intense interest due to their unique properties being non-typical for their crystalline and amorphous phase analogues. Changes of the local structure around Al, Cu, Fe atoms from the quasicrystalline to the crystalline phase transition have been studied. Investigation of the local atomic structure of the Al65Cu22Fe13 quasicrystal and its crystal analogue has been performed on the basis of the (XANES) X-ray absorption near edge structure analysis. Analysis of experimental XANES spectra permits to determine the 3D local atomic structure of the given materials. Theoretical analysis of the experimental data has been carried out on the basis of a selfconsistent, real space multiple scattering method (FEFF8.4 code) and a finite difference method (FDMNES2009 code).