Neutron scattering study of short-range correlations and ionic diffusion in copper selenide

Abstract

The paper reports the results of a neutron scattering study of Cu(2-delta)Se superionic compounds. The crystallographic model fitted to the diffraction data shows the occupation of 8c and 32f sites by Cu atoms. Observed diffuse background is related to correlated thermal vibrations of Se and Cu atoms, with Sea dagger"Cu (8c,32f) and Cu (8c)a dagger"Cu (8c) correlations being most important. The quasi-elastic neutron experiments show the decrease of the self-diffusion coefficient with the deviation from the stoichiometry due to the longer residence time of Cu ions between diffusion hops. Combination of neutron diffraction, diffuse scattering and quasi-elastic scattering experimental data suggests that the Cu atoms diffuse between the nearest 8c sites through the 32f sites. © 2011, Springer.