Abstract
The ambient pressure elastic properties of single-crystal TiO2 rutile are reported from room temperature (RT) to 1800 K, extending by more than 1200 ºK the maximum temperature for which rutile elasticity data are available. The magnitudes of the temperature derivatives decrease with increasing temperature for five of the six adiabatic elastic moduli (C ij ). At RT, we find (units, GPa): C 11=268(1); C 33=484(2); C 44=123.8(2); C 66=190.2(5); C 23=147(1); and C 12=175(1). The temperature derivatives (units, GPa K−1) at RT are: (∂C 11/∂T) P =−0.042(5); (∂C 33/∂T) P =−0.087(6); (∂C 44/∂T) P =−0.0187(2); (∂C 66/∂T) P =−0.067(2); (∂C 23/∂T) P =−0.025; and (∂C 12/∂T) P −0.048(5). The values for K S (adiabatic bulk modulus) and μ (isotropic shear modulus) and their temperature derivatives are K S =212(1) GPa; μ=113(1) GPa; (∂K S /∂T) P =−0.040(4) GPa K−1; and (∂μ/∂T) P =−0.018(1) GPa K−1. We calculate several dimensionless parameters over a large temperature range using our new data. The unusually high values for the Anderson-Gròneisen parameters at room temperature decrease with increasing temperature. At high T, however, these parameters are still well above those for most other oxides. We also find that for TiO2, anharmonicity, as evidenced by a non-zero value of [∂ln (K T )/∂lnV] T , is insignificant at high T, implying that for the TiO2 analogue of stishovite, thermal pressure is independent of volume (or pressure). Systematic relations indicate that ∂2 K S /∂T∂P is as high as 7×10−4 K−1 for rutile, whereas ∂2μ/∂T∂P is an order of magnitude less.
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Received: 19 September 1997 / Revised, accepted: 27 February 1998
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Isaak, D., Carnes, J., Anderson, O. et al. Elasticity of TiO2 rutile to 1800 K. Phys Chem Min 26, 31–43 (1998). https://doi.org/10.1007/s002690050158
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DOI: https://doi.org/10.1007/s002690050158