Co-Pd多层磁各向异性常数的第一性原理计算:层错的影响

G. Wu, K. Khoo, M. Jhon, H. Meng, S. Lua, R. Sbiaa, C. Gan
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引用次数: 5

摘要

利用第一性原理密度泛函理论计算自旋轨道耦合,系统地研究了ConPdm (n+m=5)磁性多层膜的磁各向异性能(MAE)。我们考虑了Co、wCo的相对原子量、层错和外部应力对MAE的影响。我们发现面外晶格常数、饱和磁化强度和磁矩与wCo几乎呈线性相关。无层错的ConPdm的磁各向异性常数(MAC)曲线与wCo呈近似线性关系,这与我们推导的有效MAC Kueff一致,其中包括形状、磁晶和磁弹性的贡献。我们还发现钯层对总磁矩和磁各向异性的贡献是显著的。由于衬底的应力各向异性对MAC的影响较小,而层错对MAC的影响较大。当Co层较薄时,需要一个没有层错的Co - pd界面来获得更高的Kueff。然而,当Co层较厚时,在Co区域内产生层错可能会产生较大的Kueff。我们的研究提出了增加Co-Pd多层体系中垂直磁各向异性的方法,从而导致新型磁记录器件的发展。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
First-principles calculations of the magnetic anisotropic constants of Co–Pd multilayers: Effect of stacking faults
Using first-principles density functional theory calculations with spin-orbit coupling, we systematically investigate the magnetic anisotropic energy (MAE) of ConPdm (n+m=5) magnetic multilayers. We consider the influences of the relative atomic weight of Co, wCo, stacking fault, and external stress on the MAE. We find that out-of-plane lattice constant, saturation magnetization, and magnetic moments are almost linearly correlated with wCo. The magnetic anisotropic constant (MAC) curve of ConPdm without stacking fault shows a near-linear dependence on wCo that agrees with our derived effective MAC Kueff which includes shape, magneto-crystalline, and magneto-elastic contributions. We also show that the contributions from Pd layers to both the total magnetic moments and magnetic anisotropy are significant. The stress anisotropy due to the substrate has a weak effect on the MAC. However the stacking fault has a strong effect on the MAC. When the Co layer is thin, a Co–Pd interface without stacking fault is necessary for higher Kueff. However, when the Co layer is thick, creating stacking faults inside the Co region may produce a larger Kueff. Our study suggests the ways to increase the perpendicular magnetic anisotropy in Co–Pd multilayer systems and subsequently leads to the development of novel magnetic recording devices.
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