title: High-pressure structural transitions of Sc2O3 by X-ray diffraction, Raman spectra, and ab initio calculations.
abstract: The high-pressure behavior of scandium oxide (Sc(2)O(3)) has been investigated by angle-dispersive synchrotron powder X-ray diffraction and Raman spectroscopy techniques in a diamond anvil cell up to 46.2 and 42 GPa, respectively. An irreversible structural transformation of Sc(2)O(3) from the cubic phase to a monoclinic high-pressure phase was observed at 36 GPa. Subsequent ab initio calculations for Sc(2)O(3) predicted the phase transition from the cubic to monoclinic phase but at a much lower pressure. The same calculations predicted a second phase transition at 77 GPa from the monoclinic to hexagonal phase.
authors: State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, People's Republic of China.
authors: Dan
authors: D
authors: Liu
authors: Weiwei
authors: W
authors: Lei
authors: Yinwei
authors: Y
authors: Li
authors: Yanming
authors: Y
authors: Ma
authors: Jian
authors: J
authors: Hao
authors: Xiaohui
authors: X
authors: Chen
authors: Yunxia
authors: Y
authors: Jin
authors: Dedi
authors: D
authors: Liu
authors: Shidan
authors: S
authors: Yu
authors: Qiliang
authors: Q
authors: Cui
authors: Guangtian
authors: G
authors: Zou