Universität zu Köln

Streltsov, Sergey S., Shorikov, Alexey O., Skornyakov, Sergey L., Poteryaev, Alexander I. and Khomskii, Daniel I. (2017). Unexpected 3+valence of iron in FeO2, a geologically important material lying in between oxides and peroxides. Sci Rep, 7. LONDON: NATURE PUBLISHING GROUP. ISSN 2045-2322

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Abstract

Recent discovery of the pyrite FeO2, which can be an important ingredient of the Earth's lower mantle and which in particular may serve as an extra source of water in the Earth's interior, opens new perspectives for geophysics and geochemistry, but this is also an extremely interesting material from physical point of view. We found that in contrast to naive expectations Fe is nearly 3+ in this material, which strongly affects its magnetic properties and makes it qualitatively different from well known sulfide analogue - FeS2. Doping, which is most likely to occur in the Earth's mantle, makes FeO2 much more magnetic. In addition we show that unique electronic structure places FeO2 in between the usual dioxides and peroxides making this system interesting both for physics and solid state chemistry.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Streltsov, Sergey S. UNSPECIFIED UNSPECIFIED UNSPECIFIED Shorikov, Alexey O. UNSPECIFIED UNSPECIFIED UNSPECIFIED Skornyakov, Sergey L. UNSPECIFIED UNSPECIFIED UNSPECIFIED Poteryaev, Alexander I. UNSPECIFIED UNSPECIFIED UNSPECIFIED Khomskii, Daniel I. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-214323
DOI:	10.1038/s41598-017-13312-4
Journal or Publication Title:	Sci Rep
Volume:	7
Date:	2017
Publisher:	NATURE PUBLISHING GROUP
Place of Publication:	LONDON
ISSN:	2045-2322
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language ELECTRONIC-STRUCTURE; LOWER-MANTLE; FES2; TRANSITION; SYSTEMS Multiple languages Multidisciplinary Sciences Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/21432