Dresden 2006 – wissenschaftliches Programm
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DF: Dielektrische Festkörper
DF 8: Spectroscopy, Scanning and Diffraction Methods
DF 8.6: Vortrag
Mittwoch, 29. März 2006, 16:30–16:50, M{\"U}L Elch
Density-functional simulations for X-ray and Electron Holographic measurements of single crystal properties of tetragonal Bariumtitanate — •Axel Rother1, Igor Chaplygin2, Sibylle Gemming2, Tilmann Leisegang1, Dirk Meyer1, and Hannes Lichte1 — 1Institute of Structure Physics, Dresden University, Dresden, Germany — 2Institute of Physical Chemistry and Electrochemistry, Dresden University, Dresden, Germany
As a typical member of Ferroelectrics, tetragonal BaTiO3 reveals a lot of interesting properties such as the electric polarization along the tetragonal axis. Modern X-ray and Electron Holographic methods are able to measure these features by utilizing refinement with given theoretical models. Firstly, a single crystal X-ray reflection measurement was performed to obtain structural parameters and the electron density, secondly, high resolution electron holography was utilized to measure the dipole character of the electric potential, and thirdly, different Density-functional simulations were carried out for a detailed comparison with the measured data. Furthermore we began to incorporate the theoretical calculations in the refinement models used in High Resolution Electron Holography.
[1] Support from DFG in the Framework of FOR 520 is gratefully acknowledged