Dependence of Atomic Thickness on Interfacial Conditions and Magnetocrystalline Anisotropy in SmCo₅/Sm₂Co₁₇ Multilayer

We have performed first-principles calculations to study the interfacial exchange coupling and magnetocrystalline anisotropy (MCA) energy in a SmCo₅/Sm₂Co₁₇ multilayer model systems. The phase of SmCo₅ and Sm₂Co₁₇ 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 MCA energy. We found that the inter-phase exchange coupling strength, rotating behavior and MCA energy are strongly dependent on the atomic thickness of the SmCo₅ and Sm₂Co₁₇ phase.