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| Home > Publications database > Compression Behavior of $Sm_{2}Ti_{2}O_{7}$-Pyrochlore up to 50 GPa: Single-Crystal X-ray Diffraction and Density Functional Theory Calculations |
| Home > Publications database > Compression Behavior of $Sm_{2}Ti_{2}O_{7}$-Pyrochlore up to 50 GPa: Single-Crystal X-ray Diffraction and Density Functional Theory Calculations |
| Journal Article | PUBDB-2015-01345 |
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2014
Chinese Acad. of Sciences
Beijing, China
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Please use a persistent id in citations: doi:10.1007/s11434-014-0635-5
Abstract: Single-crystal X-ray diffraction at pressures up to 50 GPa has been employed to study the compression behavior of Sm2Ti2O7-pyrochlore. In contrast to earlier reports, we observed no pressure-induced amorphization or pressure-induced anion disorder up to 50 GPa. The experimental study has been complemented by density functional theory-based calculations. A combination of the theoretical and experimental data yields a bulk modulus of about 185 GPa, significantly higher than a value which had been reported earlier. In comparison to earlier work, the current study provides more reliable data due to the use of neon as a pressure medium, which provides a morehydrostatic pressure than the aluminum, which had been employed as a pressure medium in the earlier studies. An analysis of the compressibility of Al2B2O7 pyrochlores shows an approximately linear dependence of the bulk modulus on the unit cell volume.
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