X-ray and neutron scattering

Abstract:

The crystal structure of Na0.75CoO2 was studied at ambient and low temperatures down to 10 K at pressures up to 40 GPa using synchrotron x-rays and a diamond cell in angle dispersion geometry. A reduction in the c / a ratio was observed at both conditions with the application of pressure. An increase in Co-O bond lengths and a decrease in Na-O bond lengths were observed above 10 GPa. The results of the density functional calculations performed agree well with the pressure induced bond length changes. The anomalous change in the c / a ratio and bond lengths indicate a pressure induced isostructural phase transition above 10 GPa. Bulk modulus calculations show this compound is less compressible than its hydrated analogues. © 2009 Elsevier Ltd.

Abstract:

Polarized- and unpolarized-neutron scattering measurements of the spin excitation spectrum in the stripe-ordered phase of La(2)NiO4+delta(delta similar or equal to 0.11) are presented. At low energies, the magnetic spectral weight is found to shift anomalously toward the two-dimensional antiferromagnetic wave vector, similar to the low-energy dispersions observed in cuprate superconductors. While spin-wave spectra in stripe phases can exhibit an apparent inward dispersion, we find that the peak shifts measured here cannot be accounted for by this effect. Possible extensions of the model are discussed.

Abstract:

PbZr1-x Tix O3 (PZT) ceramics made by mixed-oxide and sol-gel routes within the rhombohedral region of the phase diagram have been prepared, and their structures determined by Rietveld refinement using high-resolution time-of-flight neutron diffraction. Different structural models have been used but the best fits have been found using a mixture of rhombohedral R3c (C 3v 6) and monoclinic Cm (Cs3) across the whole rhombohedral range with the proportion of monoclinic phase increasing continuously with composition x toward the morphotropic phase boundary. Some differences are found between the ceramics prepared by the two routes, especially with respect to the diffraction peak widths, suggesting that the precise structural arrangements in these materials depend on the method of preparation. The results show that PZT ceramics made in this region always consist of mixed phases and this accounts for the fact that no phase boundary has been discovered in the PZT phase diagram between the monoclinic and rhombohedral phases. © 2009 The American Physical Society.

Abstract:

The phase diagram of lead-free piezoelectric Kx Na1-x NbO3 has been studied, with particular focus on the proposed morphotropic phase boundaries, by powder and single crystal x-ray diffraction. The tilt system and cation displacement has been mapped out as a function of temperature and composition, highlighting changes in the oxygen octahedra at x=0.2 and x=0.4 at room temperature. The orthorhombic to monoclinic boundary at x=0.5 has been investigated, with a subtle change in the structure observed. The conclusion is that Kx Na1-x NbO3 does not display a morphotropic phase boundary comparable with that in lead zirconate titanate, and that the most significant structural change as a function of composition occurs at x=0.2 because of the change of the tilt system. © 2009 American Institute of Physics.