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

Xianglian*; Siagian, S.*; Basar, K.*; Sakuma, Takashi*; Takahashi, Haruyuki*; Igawa, Naoki   ; Ishii, Yoshinobu*

Correlation effects among thermal vibrations of atoms are very important to realize the thermal properties of materials. We discuss the inter-atomic distance and temperature dependence of the correlation effects in ionic crystal, AgBr, CuBr, CuI and CuCl, by neutron diffraction method. From the Rietveld analysis of those diffraction data the lattice constants and Deby-Waller parameters were determined. The diffuse scattering of diffraction data was analyzed with the correlation effect, . It is found that the is 0.6-0.75 for the inter-atomic distance around 2.5 and 0.4-0.5 for 4 for all ionic crystals. The value of decreases with the decrease of temperature.