Polarized XAFS study of high-temperature phases of NaNbO3

Abstract

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.