Jekal Soyoung
Laboratory of Metal Physics and Technology, Department of Materials, ETH Zurich, 8093 Zurich, Switzerland.
Condensed Matter Theory Group, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland.
Materials (Basel). 2018 Dec 24;12(1):56. doi: 10.3390/ma12010056.
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.
我们进行了第一性原理计算，以研究SmCo₅/Sm₂Co₁₇多层模型系统中的界面交换耦合和磁晶各向异性能量。沿(0001)方向堆叠的SmCo₅和Sm₂Co₁₇相在结构上匹配良好。首先优化了包括层间排列和间距在内的原子结构。然后计算了非共线磁结构，以探索界面间的交换耦合以及磁晶各向异性能量的变化。我们发现，相间交换耦合强度、旋转行为和磁晶各向异性强烈依赖于SmCo₅和Sm₂Co₁₇相的原子厚度。
