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Short-range order and Fe clustering in Mg1-xFexO under high pressure
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2009 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 80, no 1, 014204- p.Article in journal (Refereed) Published
Abstract [en]

By combining high-pressure and high-temperature Moumlssbauer spectroscopic studies of (Mg,Fe)O with results of ab initio simulations, several important properties of this material were established. Under high pressure (Mg,Fe)O shows changes in the short-range order with the tendency to form iron clusters. These changes were found to be irreversible, implying sluggish kinetics of these processes at ambient conditions. The pressure-induced spin crossover is interpreted here as a gradual noncooperative transition. The onset and width of spin crossover depends, therefore, not only on pressure, temperature, and composition, but also on short-range order in the FeO-MgO solid solution.

Place, publisher, year, edition, pages
2009. Vol. 80, no 1, 014204- p.
Keyword [en]
ab initio calculations, antiferromagnetic materials, high-pressure effects, high-temperature effects, iron, iron compounds, magnesium compounds, metal clusters, Mossbauer effect, short-range order, solid solutions
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-128321DOI: 10.1103/PhysRevB.80.014204ISI: 000268617100051OAI: oai:DiVA.org:uu-128321DiVA: diva2:331265
Available from: 2010-07-22 Created: 2010-07-20 Last updated: 2012-03-29Bibliographically approved

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Skorodumova, Natalia V.
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