The translational movement, the dynamical molecular conformation, and the aggregate structure in the liquid state for three kinds of cis-type unsaturated fatty acids (cis-6-, cis-9-, and cis-11-octadecenoic acids), transtype unsaturated acid (trans-9-octadecenoic acid), and n-saturated acid (octadecanoic acid) have been studied through the measurements of density, self-diffusion coefficient, 13 C NMR spin-lattice relaxation time, and X-ray diffraction. The magnitude of the self-diffusion coefficient, D, fell in sequence of cis-type unsaturated acids > trans-type acid > saturated acid below 350 K. Above 350 K the value of D for the trans-type acid rose to those for the cis-type acids. On the other hand, the density F for the acids also fell in the order of cis-type acids > trans-type acid > saturated acid; the order of the density is just opposite to that expected from the results of the self-diffusion coefficient and other physical properties such as melting point and heat of fusion. This discrepancy between D and F values for the acids is well explained by the models of the clusters in their liquids.
The temperature-dependent Nb K-edge absorption spectra of several mixedion Pb-containing perovskite compounds were analysed to determine the Nb displacement and to trace its changes through the phase transitions. Both extended x-ray absorption fine structure (EXAFS) and the pre-edge region of the spectra were involved in the analysis. The results show that, in the compounds studied, Nb occupies an off-centre position with symmetry lower than that implied by macroscopic symmetry. The magnitude and direction of the Nb off-centre displacement do not display any noticeable temperature change and are not affected by the change in macroscopic symmetry. The Nb-O distribution and its temperature evolution do not show any distinct dependence on the degree of compositional ordering and properties of the samples.
Temperature dependence of the Nb displacement relative to the center of oxygen octahedron in NaNbO 3 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.
Polarized XAFS technique has been applied for the determination of the directions and the values of the Nb displacements relative to the centers of oxygen octahedra in KNbO3. The temperature dependence of the both EXAFS and XANES spectra were analyzed in order to reveal the role of disorder in the phase transitions of this compound. The polarized XAFS appeared to be enough sensitive to detect the delicate balance between orderdisorder and displacive mechanisms of the phase transitions in KNbO3 The magnitude of the pre-edge peak on the Nb K-XAFS spectra was found to be highly correlated with the value of the Nb off-center displacement, obtained by fitting of the EXAFS spectra.
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