Electronic band structure and properties of the solid solution Eu1–xFexO

被引：0
作者：
O. V. Anoshina
V. P. Zhukov
A. S. Borukhovich
机构：
[1] Russian State Vocational Pedagogical University,Institute of Solid State Chemistry
[2] Ural Branch of the Russian Academy of Sciences,undefined
来源：
Physics of the Solid State | 2015年 / 57卷
关键词：
Fermi Level; Curie Temperature; Iron Atom; Spin Polarization; Generalize Gradient Approximation;
D O I：
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学科分类号：
摘要：
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.
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页码：2173 / 2178
页数：5
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