0000000000393160

AUTHOR

J. A. Sans

showing 2 related works from this author

Stability and nature of the volume collapse of ε-FeO under extreme conditions

2018

Iron oxides are among the major constituents of the deep Earth's interior. Among them, the epsilon phase of FeO is one of the less studied polymorphs and there is a lack of information about its structural, electronic and magnetic transformations at extreme conditions. Here we report the precise determination of its equation of state and a deep analysis of the evolution of the polyhedral units under compression, thanks to the agreement between our experiments and ab-initio simulations. Our results indicate that this material, with remarkable magnetic properties, is stable at pressures up to 27 GPa. Above 27 GPa, a volume collapse has been observed and ascribed to a change of the local envir…

GeochemistryGeophysicsPhase transitions and critical phenomenaStructure of solids and liquids
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Pbca-Type In2O3: The High-Pressure Post-Corundum phase at Room Temperature.

2014

High-pressure powder X-ray diffraction and Raman scattering measurements in cubic bixbyite-type indium oxide (c-In2O3) have been performed at room temperature. On increasing pressure c-In2O3 undergoes a transition to the Rh2O3-II structure but on decreasing pressure Rh2O3-II-type In2O3 undergoes a transition to a previously unknown phase with Pbca space group which is isostructural to Rh2O3-III. On further decrease of pressure, we observed a phase transition to the metastable corundum-type In2O3 near room conditions. Recompression of the metastable corundum-type In2O3 at room temperature leads to a transition to the Rh2O3-III phase, thus showing that the Rh2O3-III phase is the post-corundum…

Phase transitionAnalytical chemistryInitio molecular-dynamicschemistry.chemical_elementCrystal structureAmbient-pressureSynchrotronAb initio quantum chemistry methodsMetastabilityPhase (matter)Total-Energy calculationsPhysical and Theoretical ChemistryPhase diagramOxideSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsRhombohedral IN2O3CrystallographyGeneral EnergyCrystal-structurechemistryFISICA APLICADATransitionDiffractionIndiumWave basis-setAmbient pressureThe Journal of Physical Chemistry C
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