High-pressure structural transitions of Sc2O3 by X-ray diffraction, raman spectra, and ab initio calculations
Data(s) |
07/09/2009
|
---|---|
Resumo |
The high-pressure behavior of scandium oxide (Sc<sub>2</sub>O<sub>3</sub>) 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<sub>2</sub>O<sub>3</sub> from the cubic phase to a monoclinic high-pressure phase was observed at 36 GPa. Subsequent ab initio calculations for Sc<sub>2</sub>O<sub>3</sub> 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.<br /> |
Identificador | |
Idioma(s) |
eng |
Publicador |
American Chemical Society |
Relação |
http://dro.deakin.edu.au/eserv/DU:30048493/liu-highpressure-2009.pdf http://dx.doi.org/10.1021/ic900889v |
Direitos |
2009, American Chemical Society |
Palavras-Chave | #scandium oxide #x-ray diffraction #raman spectroscopy #structural transformation #monoclinic phase #hexagonal phase |
Tipo |
Journal Article |