Theoretical predictions of interface anisotropy in the presence of interdiffusion (invited)
Theoretical predictions of interface anisotropy in the presence of interdiffusion (invited)
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DOI：
10.1063/1.358369
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发表时间：
1994-11
影响因子：
3.2
通讯作者：
J. M. Maclaren;R. Victora
中科院分区：
文献类型：
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作者：
J. M. Maclaren;R. Victora
本文首次用从头算方法计算了非理想界面超晶格的磁晶各向异性。具体来说，考虑了Co/Pd和Co/Pt超晶格界面层之间相互扩散的可能性。电子结构计算使用局域自旋密度形式，如层Korringa-Kohn-Rostoker方法所实现的。在界面处的相互扩散以两种不同的方式建模。在第一种方法中，扩散界面由置换的有序排列表示，而在第二种方法中，假设相互扩散在界面处的层上产生置换无序的随机合金，这是使用相干势近似来解决的。平均而言，具有完美和不完美界面的超晶格的计算界面各向异性可以通过简单的Neel型模型精确建模。该模型总是预测减少磁各向异性导致的T…
The first ab initio electronic structure calculations of the magnetocrystalline anisotropy of superlattices with imperfect interfaces are presented. Specifically the possibility of an interdiffusion between the layers at the interface in Co/Pd and Co/Pt superlattices is considered. The electronic structure calculations use the local spin‐density formalism as implemented with the layer Korringa–Kohn–Rostoker method. Interdiffusion at the interface is modeled in two distinct ways. In the first approach a diffuse interface is represented by ordered arrangement of substitutions, while in the second approach interdiffusion is assumed to produce a substitutionally disordered random alloy on the layers at the interface, which is solved using the coherent potential approximation. The calculated interface anisotropies for superlattices with perfect and imperfect interfaces are, on average, modeled accurately by a simple Neel‐type model. This model always predicts a reduction in magnetic anisotropy resulting from t...