Pressure and temperature dependences of the elastic properties of rutile (TiO2)

Using ultrasonic techniques we have measured the pressure and temperature dependences of the six elastic constants of single-crystalline rutile (TiO₂). The pressure measurements were made in the range 0–20 kbar at room temperature, and the temperature measurements were made in the range 80–300°K at atmospheric pressure. Our results are in good agreement with the results recently reported by Manghnani et al., although our pressure derivatives are generally a few per cent smaller than theirs and our temperature derivatives a few per cent more negative (at 298°K). Nonlinear pressure dependences were observed for some of the elastic constants. A relation between the pressure-induced softening of two lattice modes (one optic and one acoustic) and a possible pressure-induced transition to the CaCl₂ structure is discussed. An approximate separation of the isobaric temperature derivatives of the elastic constants into “pure” volume and temperature contributions is considered. In particular, an attempt is made to estimate the magnitude of the error made in effecting this separation using equations applicable to cubic rather than tetragonal symmetry. It is shown that, in principle, these errors could be significant.