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RESEARCH PRODUCT
Pressure-Driven Symmetry-Preserving Phase Transitions in Co(IO3)2
Daniel ErrandoneaZoulikha HebboulAkun LiangRobin TurnbullFrancisco Javier ManjónAlfonso MuñozIbraheem YousefPlácida Rodríguez-hernándezCatalin PopescuEnrico Bandiellosubject
DiffractionPhase transitionElectron pairMaterials sciencechemistry.chemical_elementInfrared spectroscopySynchrotronSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionsymbols.namesakechemistry.chemical_compoundGeneral EnergychemistrylawChemical physicsFISICA APLICADAsymbolsPhysical and Theoretical ChemistryRaman spectroscopyCobaltIodatedescription
[EN] High-pressure synchrotron X-ray diffraction studies of cobalt iodate, Co(IO3)(2), reveal a counterintuitive pressure-induced expansion along certain crystallographic directions. High-pressure Raman and infrared spectroscopy, combined with density-functional theory calculations, reveal that with increasing pressure, it becomes energetically favorable for certain I-O bonds to increase in length over the full range of pressure studied up to 28 GPa. This phenomenon is driven by the high-pressure behavior of iodate ion lone electron pairs. Two pressure-induced isosymmetric monoclinic-monoclinic phase transitions are observed at around 3.0 and 9.0 GPa, which are characterized by increasing oxygen coordination of the iodine atoms and the probable formation of pressure-induced metavalent bonds. Pressure-volume equations of state are presented, as well as a detailed discussion of the pressure dependences of the observed Raman- and infrared-active modes, which clarifies previous inconsistencies in the literature.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2021-08-12 | The Journal of Physical Chemistry C |