Dresden 2003 – wissenschaftliches Programm
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HL: Halbleiterphysik
HL 14: Poster I
HL 14.69: Poster
Montag, 24. März 2003, 17:00–19:30, HSZ/P2
Structure and Temperature Dependence of Dynamical Properties of Fluoride Crystals — •Karin Schmalzl1,2, Dieter Strauch1, and Helmut Schober2 — 1Universität Regensburg, D-93040 Regensburg, Germany — 2Institut Laue-Langevin, F-38042 Grenoble, Grenoble
The fluoride crystals CaF2 and LaF3 are superionic conductors with a
strong increase of fast ionic conductivity at 1430 K and 1150 K,
respectively.
We compare the structural and dynamical properties determined with the help
of
ab initio calculations with results from inelastic neutron
scattering
experiments.
Phonon dispersion curves reflect the structure of a material.
We want to investigate the transition to the ionic conductivity by the
study
of the lattice dynamics.
Single crystal inelastic neutron scattering studies have
been carried out to investigate the temperature dependence of the lattice
dynamics of these systems.
In our calculations we consider the temperature dependence regarding the
volumen dependence
of different quantities.
Additionally we have obtained indications that the most often published
structure
of LaF3 is not stable.