作者
Andre LJ Pereira, Juan A Sans, R Vilaplana, O Gomis, FJ Manjón, Placida Rodriguez-Hernandez, Alfonso Muñoz, Catalin Popescu, Armando Beltran
发表日期
2014/10/9
期刊
The Journal of Physical Chemistry C
卷号
118
期号
40
页码范围
23189-23201
出版商
American Chemical Society
简介
We report a joint experimental and theoretical study of the structural and vibrational properties of synthetic sphaerobismoite (β-Bi2O3) at high pressures in which room-temperature angle-dispersive X-ray diffraction (XRD) and Raman scattering measurements have been complemented with ab initio total-energy and lattice dynamics calculations. Striking changes in Raman spectra were observed around 2 GPa, whereas X-ray diffraction measurements evidence no change in the tetragonal symmetry of the compound up to 20 GPa; however, a significant change exists in the compressibility when increasing pressure above 2 GPa. These features have been understood by means of theoretical calculations, which show that β-Bi2O3 undergoes a pressure-induced isostructural phase transition near 2 GPa. In the new isostructural β′ phase, the Bi3+ and O2– environments become more regular than those in the original …
引用总数
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