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Effects of impurity states on exchange coupling in Fe/Fe_3O_4 junctions

机译:Fe / Fe_3O_4结中杂质态对交换耦合的影响

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摘要

Exchange coupling (EC) in Fe/Fe_3O_4 junctions containing magnetic impurities and in-gap states at the interface is calculated using a formula obtained by a cleaved layer method. The model for EC is constructed by performing first-principles calculations of the electronic and magnetic states of Co, Mn, and Cr impurities on the Fe surface and those of in-gap states in a bulk γ-Fe_2O_3, which has the same lattice structure as Fe_3O_4 but contains Fe defects. We show that the effect of Co impurities on EC is opposite to that of Cr and Mn impurities and that in-gap states tend to cause parallel magnetization alignment of two ferromagnets. These results are attributed to the change in electronic states caused by the presence of impurities. Further, we compare calculated results with experimental ones obtained in Fe/Fe_3O_4 junctions and suggest that doping magnetic impurities at the interface could be a useful way to control the magnitude and sign of the EC.
机译:使用通过劈开层法获得的公式计算在Fe / Fe_3O_4结中的Fe / Fe_3O_4结中的交换耦合(EC),该结中包含磁性杂质和界面处的间隙状态。 EC的模型是通过对Fe表面的Co,Mn和Cr杂质的电子和磁态以及块体γ-Fe_2O_3中的带隙态的电子和磁态进行第一性原理计算而构建的作为Fe_3O_4,但含有Fe缺陷。我们表明,Co杂质对EC的作用与Cr和Mn杂质的作用相反,并且带隙态倾向于引起两个铁磁体的平行磁对准。这些结果归因于杂质的存在引起的电子态的变化。此外,我们将计算结果与在Fe / Fe_3O_4结中获得的实验结果进行了比较,并表明在界面处掺杂磁性杂质可能是控制EC大小和符号的有用方法。

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