A systematic Raman study in the visible carried out on the YBa2Cu316, 18Ox (x = 6–7) compounds, with isotopic substitution of 18O for 16O, has detected a doping dependent deviation from harmonic behavior for the frequency shift of the in-phase mode, a smaller amount of anharmonicity for the apex mode, and almost no effect for the out-of-phase B1g-symmetry phonon. It appears that the amount of anharmonicity depends strongly on the oxygen concentration; it diminishes close to the tetragonal to orthorhombic structural phase transition and close to optimal doping, while it reaches its maximum value for the ortho-II and a tetragonal phase. The almost zero anharmonicity at optimal doping persists even at 77 K. The data in the overdoped oxygen concentration, where a softening of the in-phase phonon frequency occurs, indicate that the anharmonicity is not enhanced by the sudden increase in the CuO2 buckling. The results fully agree with recent studies of the ortho-II phase but they do not comply with a static double-well potential of the apical oxygen atom at optimal doping.
Liarokapis, E. (2017). Raman study of the anharmonicity in YBa2Cu3Ox. Springer Series in Materials Science, 255, 189–200. https://doi.org/10.1007/978-3-319-52675-1_15