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Stability and nature of the volume collapse of ε-Fe2O3 under extreme conditions

J. A. Sans (), V. Monteseguro, G. Garbarino, M. Gich, V. Cerantola, V. Cuartero, M. Monte, T. Irifune, A. Muñoz and C. Popescu
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J. A. Sans: Universitat Politècnica de València
V. Monteseguro: European Radiation Synchrotron Facility
G. Garbarino: European Radiation Synchrotron Facility
M. Gich: Institut de Ciència de Materials de Barcelona (ICMAB-CSIC)
V. Cerantola: European Radiation Synchrotron Facility
V. Cuartero: European Radiation Synchrotron Facility
M. Monte: European Radiation Synchrotron Facility
T. Irifune: Ehime University, 2–5 Bunkyo-cho
A. Muñoz: MALTA Consolider Team, Universidad de La Laguna
C. Popescu: ALBA-CELLS

Nature Communications, 2018, vol. 9, issue 1, 1-11

Abstract: Abstract Iron oxides are among the major constituents of the deep Earth’s interior. Among them, the epsilon phase of Fe2O3 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 environment of the tetrahedrally coordinated iron towards an octahedral coordination, finding evidence for a different iron oxide polymorph.

Date: 2018
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DOI: 10.1038/s41467-018-06966-9

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