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High-pressure structural transitions of Sc2O3 by X-ray diffraction, raman spectra, and ab initio calculations
journal contribution
posted on 2009-09-07, 00:00 authored by Dan LiuDan Liu, Weiwei LeiWeiwei Lei, Y Li, Y Ma, J Hao, X Chen, Y Jin, D Liu, S Yu, Q Cui, G ZouThe high-pressure behavior of scandium oxide (Sc2O3) 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 Sc2O3 from the cubic phase to a monoclinic high-pressure phase was observed at 36 GPa. Subsequent ab initio calculations for Sc2O3 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.