High-Pressure Structural Transitions of Sc2O3 by X-ray Diffraction, Raman Spectra, and Ab Initio Calculations

Journal Article · Thu Jan 01 04:00:00 EST 2009 · Inorganic Chemistry

DOI:https://doi.org/10.1021/ic900889v· OSTI ID:980238

Liu, D; Lei, W; Li, Y; Ma, Y; Hao, J; Chen, X; Jin, Y; Liu, D; Yu, S

The 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.

• Research Organization: Brookhaven National Laboratory (BNL) National Synchrotron Light Source
• Sponsoring Organization: Doe - Office Of Science
• DOE Contract Number: AC02-98CH10886
• OSTI ID: 980238
• Report Number(s): BNL--93156-2010-JA
• Journal Information: Inorganic Chemistry, Journal Name: Inorganic Chemistry Vol. 48; ISSN 0020-1669; ISSN INOCAJ
• Country of Publication: United States
• Language: English

Related Subjects

43 PARTICLE ACCELERATORS
DIAMONDS
RAMAN SPECTRA
RAMAN SPECTROSCOPY
SCANDIUM OXIDES
SYNCHROTRONS
TRANSFORMATIONS
X-RAY DIFFRACTION
national synchrotron light source