High-Pressure Phase Transition to the Gd2S3 Structure in Sc2O3: A New Trend in Dense Structures in Sesquioxides

作者：Yusa Hitoshl^*; Tsuchiya Taku; Sata Nagayoshi; Ohishi Yasuo

来源：Inorganic Chemistry, 2009, 48(16): 7537-7543.

DOI：10.1021/ic9001253

In situ X-ray diffraction experiments using a laser-heated diamond anvil cell revealed a novel dense phase with the Gd2S3 structure stabilizing in Sc2O3 at pressures over 19 GPa. Although no phase transformation was induced during room-temperature compression up to 31 GPa, the C rare earth sesquioxide structure transformed into the B rare earth sesquioxicle structure at 10 GPa after laser annealing and subsequently into the Gd2S3 structure at 19 GPa. Neither the A rare earth sesquioxicle structure nor the U2S3 structure was found in Sc2O3. Static density functional lattice energy calculations demonstrated that the C structure prefers Gd2S3 over U2S3 as the post phase. Sc2O3 is the second sesquioxicle, after In2O3, to crystallize into a Gd2S3 structure at high pressures and high temperatures.

• 出版日期2009-8-17