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Magnetic Configurations in Cubic Bi2MnFeO6 Alloys from First-Principles

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Abstract:

We expand our study on cubic BiFeO3 alloys presented in [K. Koumpouras and I. Galanakis, J. Magn. Magn. Mater. 323, 2328 (2011)] to include also the BiMnO3 and Bi2MnFeO6 alloys. For the latter we considered three different cases of distribution of the Fe–Mn atoms in the lattice and six possible magnetic configurations. We show that Fe and Mn atoms in all cases under study retain a large spin magnetic moment, the magnitude of which exceeds the 3 μ B . Their electronic and magnetic properties are similar to the ones in the parent BiMnO3 and BiFeO3 compounds. Thus oxygen atoms which are the nearest-neighbors of Fe(Mn) atoms play a crucial role since they mediate the magnetic interactions between the transition metal atoms and screen any change in their environment. Finally, we study the effect of lattice contraction on the magnetic properties of Bi2MnFeO6.

Keywords: DFT; ELECTRONIC STRUCTURE CALCULATIONS; MAGNANITES; MAGNETISM; MULTIFERROICS

Document Type: Research Article

DOI: https://doi.org/10.1166/jsm.2012.1003

Publication date: 2012-04-01

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  • Journal of Spintronics and Magnetic Nanomaterials is an international multidisciplinary peer-reviewed journal reporting new developments in the fields of magnetic and spintronics materials including their synthesis, characterization, properties, and applications in electronics, photonics, telecommunications, computer sciences, medicine, health science, etc. JSM is the first journal devoted to the exciting field of spintronics, which is playing a fundamental role in the novel technological developments based on the new spin torque transfer phenomena.
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