The temperature dependence for the third shell's Fourier-peak of Nb-EXAFS in KNbO3 as additional source of information on the local atomic structure
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Updated: Oct 5, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
L A Bugaev1, V A Shuvaeva, K N Zhuchkov
1Department of Physics, Rostov University, Rostov-on-Don, Russia. bugaev@rnd.runnet.ru
Abstract:
The information on the structure of tetragonal KNbO3 is extracted from the temperature dependence of the third shell's Fourier-peak of Nb-EXAFS. It is shown that this dependence can be explained by two effects: 1) rigid rotations of the O6-octahedron and 2) increase of the third shell's DW-parameter. However, diffraction data on the temperature dependence of the DW-parameter permit us to conclude that the last effect only is sufficient and the O6-octahedron rotation doesn't occur in the high-temperature phases of KNbO3. Using EXAFS it is revealed that in the neighboring cells Nb-atoms are parallel shifted closely to [211] direction in tetragonal phase.
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