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<p>The electronic structure and magnetic properties of thin-film (Co,Fe)/MgO heterostructures have been examined using the GGA + <i>U</i> method. It has been found that the epitaxial strain in the Co layer leads to the antiferromagnetic order, which can deteriorate the polarization characteristics of the (Co, Fe)/MgO interface. The simulation of the extension of bcc Co lattice has shown that the change in the long-range order from ferromagnetic to antiferromagnetic can be caused by an increase in the interatomic distance.</p>

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Theoretical Study of the Spin Polarization and Magnetic Properties of (Co,Fe)/MgO Thin Film Heterostructures

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  • 发表日期：

    2025年6月1日

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  • A. O. Shorikov,
  • N. A. Viglin

摘要

The electronic structure and magnetic properties of thin-film (Co,Fe)/MgO heterostructures have been examined using the GGA + U method. It has been found that the epitaxial strain in the Co layer leads to the antiferromagnetic order, which can deteriorate the polarization characteristics of the (Co, Fe)/MgO interface. The simulation of the extension of bcc Co lattice has shown that the change in the long-range order from ferromagnetic to antiferromagnetic can be caused by an increase in the interatomic distance.