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Revealing the Compl...
Revealing the Complex Nature of Bonding in the Binary High-Pressure Compound FeO2
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- Koemets, E. (author)
- Univ Bayreuth, Germany; Univ Montpellier, France
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- Leonov, I (author)
- Inst Met Phys, Russia; NUST MISIS, Russia; Ural Fed Univ, Russia
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- Bykov, M. (author)
- Univ Bayreuth, Germany
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- Bykova, E. (author)
- Univ Bayreuth, Germany; Carnegie Inst Sci, DC 20015 USA
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- Chariton, S. (author)
- Univ Bayreuth, Germany
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- Aprilis, G. (author)
- Univ Bayreuth, Germany; European Synchrotron Radiat Facil, France
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- Fedotenko, T. (author)
- Univ Bayreuth, Germany
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- Clement, S. (author)
- Univ Montpellier, France
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- Rouquette, J. (author)
- Univ Montpellier, France
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- Haines, J. (author)
- Univ Montpellier, France
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- Cerantola, V (author)
- European Synchrotron Radiat Facil, France
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- Glazyrin, K. (author)
- DESY, Germany
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- McCammon, C. (author)
- Univ Bayreuth, Germany
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- Prakapenka, V. B. (author)
- Univ Chicago, IL 60437 USA
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- Hanfland, M. (author)
- European Synchrotron Radiat Facil, France
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- Liermann, H-P (author)
- DESY, Germany
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- Svitlyk, V (author)
- European Synchrotron Radiat Facil, France
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- Torchio, R. (author)
- European Synchrotron Radiat Facil, France
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- Rosa, A. D. (author)
- European Synchrotron Radiat Facil, France
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- Irifune, T. (author)
- Ehime Univ, Japan
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- Ponomareva, A. V (author)
- NUST MISIS, Russia
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- Abrikosov, Igor (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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- Doubrovinckaia, Natalia (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Univ Bayreuth, Germany
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- Dubrovinsky, L. (author)
- Univ Bayreuth, Germany
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(creator_code:org_t)
- AMER PHYSICAL SOC, 2021
- 2021
- English.
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In: Physical Review Letters. - : AMER PHYSICAL SOC. - 0031-9007 .- 1079-7114. ; 126:10
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- Extreme pressures and temperatures are known to drastically affect the chemistry of iron oxides, resulting in numerous compounds forming homologous series nFeOmFe(2)O(3) and the appearance of FeO2. Here, based on the results of in situ single-crystal x-ray diffraction, Mossbauer spectroscopy, x-ray absorption spectroscopy, and density-functional theory + dynamical mean-field theory calculations, we demonstrate that iron in high-pressure cubic FeO2 and isostructural FeO2H0.5 is ferric (Fe3+), and oxygen has a formal valence less than 2. Reduction of oxygen valence from 2, common for oxides, down to 1.5 can be explained by a formation of a localized hole at oxygen sites.
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Koemets, E.
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Leonov, I
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Bykov, M.
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Bykova, E.
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Chariton, S.
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Aprilis, G.
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Fedotenko, T.
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Clement, S.
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Rouquette, J.
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Haines, J.
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Cerantola, V
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Glazyrin, K.
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McCammon, C.
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Prakapenka, V. B ...
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Hanfland, M.
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Liermann, H-P
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Svitlyk, V
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Torchio, R.
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Rosa, A. D.
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Irifune, T.
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Ponomareva, A. V
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Abrikosov, Igor
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Doubrovinckaia, ...
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Dubrovinsky, L.
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Inorganic Chemis ...
- Articles in the publication
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Physical Review ...
- By the university
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Linköping University