X-ray and neutron scattering

Abstract:

The structure of bilayer manganite LaSr2Mn2O7 has been investigated under high pressure using synchrotron and laboratory X-rays in the angle-dispersive X-ray diffraction geometry up to 35 GPa at ambient temperature. The Rietveld refinement results of the powder diffraction data show a crossover between the axial and equatorial Mn–O bond length values and a significant suppression of Jahn–Teller (JT) distortion around 16 GPa. Our results imply that a re-entrant behavior in LaSr2Mn2O7, which shows equality in all the three Mn–O bond length values around 16 GPa similar to ambient conditions, may dramatically alter the orbital ordering. Further, the P-V data for the bilayer compounds indicate that the additional substitution of La3+ for Sr2+ lowers the bulk modulus and enhances lattice softening.

Abstract:

The influence of electrostatic interactions on the ordering of sodium ions in NaxCoO2 is studied theoretically through Monte-Carlo simulations. For large x small di- or tri-vacancy clusters are stable with respect to isolated Na vacancies. At commensurate fillings these small clusters order in triangular superstructures. These results agree with recent electron diffraction data at x = 1/2 and 3/4. We have performed neutron Laue diffraction experiments at higher x, which confirm the predictions of this simple model. The consequences on the properties of the electronic charges in the Co layers are discussed.