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Title: Electronic band structure and properties of the solid solution Eu1–xFexO
Authors: Anoshina, O. V.
Zhukov, V. P.
Borukhovich, A. S.
Issue Date: 2015
Publisher: Maik Nauka-Interperiodica Publishing
Abstract: The electronic band structure of the solid solution Eu1–xFexO (x = 0.0625, 0.125) involved in the composition of the spintronic composite EuO: Fe has been calculated using the full-potential linearized augmented- plane-wave (FLAPW) method. The calculations have been performed with the correction of the exchange–correlation potential in the framework of the generalized gradient approximation (GGA + U). It has been shown that iron and europium cations have the oxidation state close to 2+. In this case, the iron cations are in the high-spin state with the magnetic moment close to 4 μB, which explains the significant increase in the Curie temperature of the composite upon doping of EuO with iron. It has been demonstrated that there is a small transfer of the electron density from Eu2+ cations to Fe2+ cations. It has been argued that the main factor providing a high concentration of Eu3+ cations in the composite is, probably, the presence of Eu2O3 nanoclusters in the structure. © 2015, Pleiades Publishing, Ltd.
ISSN: 1063-7834
DOI: 10.1134/S1063783415110037
SCOPUS: 2-s2.0-84946108624
WoS: WOS:000366628200007
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS

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