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Structural phase transitions in brookite-type TiO2 under high pressure |
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| Authors: | W. Luo S.F. Yang Y. Wang B. Johansson J. Liu |
| Affiliation: | a National Laboratory of Superhard Materials, Jilin University, Changchun 130012, People's Republic of China b Condensed Matter Theory Group, Department of Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden c Chemistry Department, Jilin University, Changchun 130012, People's Republic of China d Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, S-100 44 Stockholm, Sweden e BSRF, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100039, People's Republic of China |
| Abstract: | We have studied polycrystalline brookite TiO2 using energy-dispersive X-ray diffraction at pressures up to 27.8 GPa and derived an ambient-pressure bulk modulus of 255 GPa using Birch-Murnaghan's equations of state with a fixed value of 4 as its first derivative. The transition from brookite-type to baddeleyite-type was observed to start at 15.8 GPa and finished at 22.8 GPa. Upon decompression, the α-PbO2 structure appeared at 3.5 GPa and the baddeleyite-type structure remained down to 1.6 GPa, the lowest pressure in the present work. |
| Keywords: | 61.50 Ks |
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