High-Pressure Structural Transitions of Sc2O3 by X-ray Diffraction, Raman Spectra, and Ab Initio Calculations
Inorganic Chemistry2009Vol. 48(17), pp. 8251–8256
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Dan Liu, Weiwei Lei, Yinwei Li, Yanming Ma, Jian Hao, Xiaohui Chen, Yunxia Jin, Dedi Liu, Shidan Yu, Qiliang Cui, Guangtian Zou
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.
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