First-principles calculations of the magnetic anisotropic constants of Co–Pd multilayers: Effect of stacking faults

• Published in: Europhysics letters 2012-07, Vol.99 (1), p.17001
• Main Authors: Wu, G., Khoo, K. H., Jhon, M. H., Meng, H., Lua, S. Y. H., Sbiaa, R., Gan, C. K.
• Format: Article
• Language: English
• Subjects: 71.70.Ej; 75.30.Gw; 75.50.Ss
• ISSN: 0295-5075; 1286-4854
• DOI: 10.1209/0295-5075/99/17001

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.