Surface structure effect on the magnetic anisotropy of Co/Pd (001) thin film: A first principles study

Perpendicular magnetic anisotropy (PMA) in thin film is the key factor to obtain good properties for high density storage devices. Although the importance of the properties of PMA is well-known for Co/Pd thin film, it is still unclear which surface structure and composition indicate that PMA is present. In this work, the surface structure and magnetic properties of L1₀-ordered Co/Pd (001) were analyzed using density functional theory calculations. It was confirmed that only Pd-rich A among the facile surface structures indicates PMA properties. However, according to the calculated surface energy, not only Pd-rich A but also Co-rich B is among the most energetically stable structures. The density of states showed a clear distinct electronic structure between Pd-rich A and Co-rich B derived from the structural difference. This result indicates that PMA is not always present in a sandwich structure such as Pd-rich A. The results provide a useful guide to magnetic devices created using L1₀-ordered Co/Pd (001) on substrate Pd.