We have performed first-principles calculations to study the interfacial exchange coupling and magnetocrystalline anisotropy energy in a SmCo 5 /Sm 2 Co 17 multilayer model system. The phase of SmCo 5 and Sm 2 Co 17 stacking along (0001) direction are structurally well matched. The atomic structure, including the alignment and the separation between layers, were firstly optimized. Then the non-collinear magnetic structures were calculated to explore the exchange coupling across the interface and the variation of magnetocrystalline anisotropy energy. We found that the inter-phase exchange coupling strength, rotating behavior and magnetocrystalline anisotropy strongly depend on the atomic thickness of the SmCo 5 and Sm 2 Co 17 phase.
Keywords: exchange energy; first principles; magnetocrystalline anisotropy.