Thermally activated dynamics in La2CuO4+delta: tilts of the CuO6 octahedra and interstitial O

Abstract

An intense peak of the elastic energy loss versus temperature is found in La2CuO4 at 150 K (in the LTO phase), at a vibration frequency of similar to 280 Hz. From the dependence of the dissipation curve on frequency it is deduced that the relaxation rate has an activation enthalpy of 0.23 eV. The peak is ascribed to a thermally activated dynamics of the tilts of the CuO6 octahedra which form the La2CuO4 lattice, a fraction of which are supposed to be able to switch between energetically equivalent configurations. The peak is suppressed by interstitial O; this is explained by supposing that each interstitial atom can block several octahedra into a configuration that can accommodate the distortion due to its presence. Increasing the content of excess O, two new thermally activated processes develop, attributed to the hopping of interstitial O atoms which are isolated and which are paired or otherwise aggregated. The activation enthalpy for the diffusion of O at low values of 6 is 0.48 eV.