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V A Shuvaeva

Publications and source records attributed to V A Shuvaeva.

7 recordsLinked to original sources

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.

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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Polarized XAFS study of high-temperature phases of NaNbO3.

Temperature dependence of the Nb displacement relative to the center of oxygen octahedron in NaNbO3 has been studied by polarized Nb K XAFS. Spectra were measured at two orientations of a single crystalline sample. Room temperature EXAFS data are in a good agreement with earlier X-ray diffraction data: Nb antiferroelectric displacements were found to be orthogonal to the b axis. Analysis of the temperature dependent EXAFS data didn't reveal any abrupt changes of Nb-O distances in the phase transition points. In all high-temperature paraelectric phases Nb appeared to be displaced to the off-center positions. Displacements, orthogonal to b axis, remained almost constant, while displacement along b axis gradually increased with temperature, so that in the cubic phase the displacements along all axes became equal. This shows, that disorder plays an important role in the high temperature phases. The above results are supported also by the analysis of the pre-edge structure, - the integral intensity of the pre-edge peak was temperature-independent when the polarization vector of the X-rays was orthogonal to b axis and gradually increased with temperature when the polarization was parallel to b.

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Deglitching procedure for XAFS.

A computer program for eliminating artifacts such as glitches and Bragg peaks of the polarized XAFS spectra is presented. It permits to easily locate and to eliminate from the EXAFS spectra the additional signals originated from the Bragg scattering by crystalline samples. The test of the procedure on the spectra with specially introduced artifacts and on the experimental polarized XAFS spectra showed its high effectiveness.

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