X-ray and neutron diffuse scattering in LiNbO3 from 38 to 1200 K

A semi-quantitative description of X-ray and neutron diffuse scattering from congruent lithium niobate, LiNbO3, is given. The diffuse scattering is concentrated in three sets of diffuse planes perpendicular to the pseudo-cubic symmetry-related [221], [241] and [ anti 4 anti 21] directions and can be attributed to one-dimensional displacive and chemical disorder along these directions. The variation of the X-ray and neutron diffuse intensities with the scattering vector, as well as the comparison between X-ray and neutron data, indicate that more than one type of atom is involved. Temperature variations are followed from 38 to 1200 K. Different disorder models are discussed. The increase of the integrated intensities of the diffuse lines along the [0 1k 2l]* and [0 anti 1k 4l]* directions (i.e. sections of the diffuse planes) up to 800 K followed by a slight decrease at higher temperatures may be interpreted either by static disorder related to temperature-dependent variation of disorder/defect clusters or by dynamic disorder. Inelastic neutron scattering experiments do not show any anomaly of the transversal acoustic (TA) modes. (orig.)