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First-principles studies of the interlayer exchange coupling in fine-layered Fe/Au multilayers

机译:Fe / Au多层薄层中层间交换耦合的第一性原理研究

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Using the ab initio approach, we calculate the bilinear coupling constant for the Fe_n/Au_m multilayers with n=2, 4, and 6, and m ranging from 2 up to 11 monolayers. The calculations show that the ferromagnetic order of two adjacent Fe layers is energetically favored in systems with small Au thickness, up to 5 or 6 monolayers. The calculated results also very closely reproduce the strength of the magnetic couplings known from experimental data. Simultaneously, the magnetic profile of each multilayer is calculated, showing enhanced Fe magnetic moments close to the interface in comparison with the bulk values and very slight polarization of Au layers.
机译:使用从头算的方法,我们计算了n = 2、4和6且m范围从2到11个单层的Fe_n / Au_m多层的双线性耦合常数。计算表明,在具有较小Au厚度,最多5或6个单层的系统中,在能量上有利于两个相邻的Fe层的铁磁顺序。计算结果还非常接近地再现了从实验数据中得知的磁耦合强度。同时,计算了每个多层的磁分布,与本体值和Au层的极小极化相比,显示出靠近界面的增强的Fe磁矩。

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