Unexpected 3+ valence of iron in FeO(2), a geologically important material lying "in between" oxides and peroxides

FeO(2)中铁的价态出乎意料地为3+,这是一种在地质学上非常重要的物质,介于氧化物和过氧化物之间。

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Abstract

Recent discovery of the pyrite FeO(2), 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 - FeS(2). Doping, which is most likely to occur in the Earth's mantle, makes FeO(2) much more magnetic. In addition we show that unique electronic structure places FeO(2) "in between" the usual dioxides and peroxides making this system interesting both for physics and solid state chemistry.

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