Inter-atomic distance and temperature dependence of correlation effects among thermal displacements

Diffuse neutron scattering from a powder AgCl was measured from 10 to 260 K. The correlation effects among thermal displacements of atoms were obtained from the diffraction data. The values of the correlation effects decrease rapidly with the increase of the inter-atomic distance. The values also decrease with the decrease of temperature. The similar tendency was also obtained in AgBr and CuI. The temperature dependence of the values of correlation effects agrees with the result by a simple Debye model of lattice vibrations.     

Correlation effects among thermal displacements of atoms in VSe by diffuse neutron scattering measurement

Neutron diffraction measurements have been performed on powder VSe at 294 K. The diffuse scattering theory including correlation effects among thermal displacements of atoms is applied to background function in the Rietveld analysis. The oscillatory scheme of the diffuse scattering intensity from hexagonal VSe is explained by the correlation effects among far-neighboring Se–Se atoms. The values of the correlation effects depend on the inter-atomic distance and not on the crystal structure. The relation between correlation effects and force constants is discussed.