Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1594995 | Solid State Communications | 2008 | 5 Pages |
Abstract
Sm2O3 was compressed at room temperature up to 44.0 GPa and then decompressed back to ambient pressure. In situ X-ray diffraction was used to monitor the structural changes in the sample. A cubic to hexagonal phase transformation was observed in Sm2O3 for the first time. After decompression back to ambient pressure, the hexagonal phase was not quenchable and transformed to a monoclinic phase. Ab initio Density- Functional-Theory (DFT) calculations were performed to obtain theoretical data for comparison with the experimental results and elucidation of the transformation mechanism. A possible phase transformation mechanism that is consistent with the experimental results and theoretical calculations is proposed.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Qixun Guo, Yusheng Zhao, Chao Jiang, Wendy L. Mao, Zhongwu Wang,