RESUMO
The Raman spectra of Ca2Fe2O5 were investigated up to 21.8 GPa at room temperature and up to 1073 K at ambient pressure, respectively. A phase transition begins around 13.6 GPa and it is reversible after decompression. No temperature-induced phase transition was observed due to the quality of Raman spectra at temperatures above 773 K. The effects of pressure and temperature on the Raman vibration were quantitatively analyzed. All the observed Raman active vibrations of Ca2Fe2O5 show positive linear pressure dependences and negative temperature dependences with different slopes. Combined with previous experimental results, the isothermal and isobaric mode Grüneisen parameters of Ca2Fe2O5 were estimated, and the intrinsic anharmonicity was discussed.
RESUMO
Synthetic Mg2TiO4 qandilite was investigated to 50 and 40.4 GPa at room temperature using Raman spectroscopy and X-ray diffraction, respectively. The Raman measurements showed that cubic Mg2TiO4 spinel transforms to a high pressure tetragonal (I41/amd, No.141) phase at 14.7 GPa. Owing to sluggish kinetics at room temperature, the spinel phase coexists with the tetragonal phase between 14.7 and 24.3 GPa. In the X-ray diffraction experiment, transformation of the cubic Mg2TiO4 to the tetragonal structure was complete by 29.2 GPa, ~5 GPa higher than the transition pressure obtained by Raman measurements, owing to slow kinetics. The obtained isothermal bulk modulus of Mg2TiO4 spinel is KT0 = 148(3) GPa when KT0' = 6.6, or KT0 = 166(1) GPa when KT0' is fixed at 4. The isothermal bulk modulus of the high-pressure tetragonal phase is calculated to be 209(2) GPa and V0 = 270(2) Å3 when KT0' is fixed at 4, and the volume reduction on change from cubic to tetragonal phase is about 9%. The calculated thermal Grüneisen parameters (γth) of cubic and tetragonal Mg2TiO4 phases are 1.01 and 0.63. Based on the radii ratio of spinel cations, a simple model is proposed to predict post-spinel structures.