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

Sans, J.A. ; Monteseguro, V. ; Garbarino, G. ; Gich, M. ; Cerantola, V. ; Cuartero, V. ; Monte, M. ; Irifune, T. ; Muñoz, A. ; Popescu, C.

Resumen: 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.

Idioma: Inglés

DOI: 10.1038/s41467-018-06966-9

Año: 2018

Publicado en: Nature communications 9, 1 (2018), 4554 [11 pp]
ISSN: 2041-1723

Factor impacto JCR: 11.878 (2018)

Categ. JCR: MULTIDISCIPLINARY SCIENCES rank: 5 / 69 = 0.072 (2018) - Q1 - T1

Factor impacto SCIMAGO: 5.992 - Biochemistry, Genetics and Molecular Biology (miscellaneous) (Q1) - Physics and Astronomy (miscellaneous) (Q1) - Chemistry (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/MINECO/FIS2017-83295-P
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2016-75586-C4-1-P
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2016-75586-C4-2-P
Financiación: info:eu-repo/grantAgreement/ES/MINECO/MAT2016-75586-C4-3-P
Financiación: info:eu-repo/grantAgreement/ES/MINECO/SEV-2015-0496

Tipo y forma: Artículo (Versión definitiva)