A theoretical study of interfacial structure of Co/Cu and Co/Pd multilayers
A theoretical study of interfacial structure of Co/Cu and Co/Pd multilayers
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DOI：
10.1088/0953-8984/11/48/317
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发表时间：
1999-12-06
影响因子：
2.7
通讯作者：
Shiiki, K
中科院分区：
文献类型：
--
作者：
Fujii, Y;Komine, T;Shiiki, K
在原子球近似下，用线性Muffin-tin轨道方法计算了Co/Cu和Co/Pd多层膜的电子结构和能量.通过Co层和Cu（Pd）层之间的原子交换来模拟混合界面。混合界面的Co/Cu多层膜的总能量高于突变界面的Co/Cu多层膜。混合界面的Co/Pd多层膜的总能量低于突变界面的Co/Pd多层膜。稳定的界面结构出现在Co/Cu多层膜和混合在Co/Pd多层膜中的突变，由实验观察所揭示的。具有突变界面的多层膜和具有混合界面的多层膜之间的总能量差是由Co/Cu多层膜的Co 3d带窄化和Co/Pd多层膜的Pd自旋极化引起的。
The electronic structures and energies of Co/Cu and Co/Pd multilayers with abrupt or mixed interfaces have been calculated using the linear muffin-tin orbital method in the atomic sphere approximation. The mixed interface is modelled by exchanging atoms between Co layers and Cu (Pd) layers. The calculated total energies of Co/Cu multilayers with mixed interfaces are higher than those of Co/Cu multilayers with abrupt interfaces. The calculated total energies of Co/Pd multilayers with mixed interfaces are lower than those of Co/Pd multilayers with abrupt interfaces. Stable interface structure appears to be abrupt in Co/Cu multilayers and mixed in Co/Pd multilayers, as revealed by experimental observations. Total-energy differences between the multilayer with abrupt interfaces and the multilayer with mixed interfaces are caused by Co 3d-band narrowing for Co/Cu multilayers and Pd spin polarizations for Co/Pd multilayers.