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Eur. Phys. J. B 17, 595-601
Correlation functions and the dynamical structure factor of quasicrystals
M. Hohl - J. Roth - H.-R. Trebin
Institut für Theoretische und Angewandte Physik,
Universität Stuttgart,
Pfaffenwaldring 57, 70550 Stuttgart,
Germany
johannes@itap.physik.uni-stuttgart.de
Received 17 March 2000 and Received in final form 8 June 2000
Abstract
The icosahedral or decagonal symmetry of quasicrystals
is well described by a periodic structure in higher dimensions.
One consequence is the existence of dynamic phason modes in addition
to the phonon modes.
In an atomistic model phasons show up
as correlated atomic jumps. We detect the phasons by the calculation
of correlation functions and the dynamical structure factor in
molecular dynamics simulations similar
to the procedure used for phonons.
In the simulations it is also possible to observe atomic
jump processes directly.
The models studied here represent icosahedral AlCuLi and decagonal AlCuCo
quasicrystals. Ring processes are observed in the icosahedral case, and
flips in the decagonal model.
PACS
61.44.Br Quasicrystals -
66.30.-h Diffusion in solids -
68.45.Kg Dynamics; vibrations
Copyright EDP Sciences, Società Italiana di Fisica, Springer-Verlag
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