Search results for "Crystal thallic oxide"

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High-pressure structural and elastic properties of Tl2O3

2014

The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab initio total-energy calculations. The equation of state of Tl2O3 has been determined and compared to related compounds. It has been found experimentally that Tl2O3 remains in its initial cubic bixbyite-type structure up to 22.0 GPa. At this pressure, the onset of amorphization is observed, being the sample fully amorphous at 25.2 GPa. The sample retains the amorphous state after pressure release. To understand the pressure-induced amorphization process, we h…

Equation of statePhase transitionMaterials scienceAb initioOxideGeneral Physics and AstronomyThermodynamicsFOS: Physical sciencesInitio molecular-dynamicsHigh-temperatureInduced amorphizationchemistry.chemical_compoundX-Ray DiffractionTotal-Energy calculationsCondensed Matter - Materials ScienceSingle crystalMaterials Science (cond-mat.mtrl-sci)Compression (physics)Crystal thallic oxideAmorphous solidchemistryAugmented-wave methodFISICA APLICADAElectrical-conductionOrthorhombic crystal systemPhase-transformationPowder diffraction

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