Department of Physics, Pukyong National University, Busan, Korea.
J Phys Condens Matter. 2010 Oct 27;22(42):426003. doi: 10.1088/0953-8984/22/42/426003. Epub 2010 Oct 7.
Using the full potential linearized augmented plane wave (FLAPW) method, the magnetic properties of two-dimensional Ru and Rh monolayers (MLs) on a NiAl(001) surface have been investigated. It has been found that free standing one monolayer Ru and Rh films have ferromagnetic ground state with magnetic moments of 2.21 and 1.48 μ(B), respectively. The ferromagnetism is still observed even on a Ni terminated NiAl(001) surface, while no magnetic state is found on an Al terminated surface. The calculated magnetic moments of Ru and Rh atoms are 1.56 and 0.88 μ(B), respectively. In addition, an induced magnetic moment in surface Ni is observed. It has been found that the free standing Ru film has perpendicular magnetization to the film surface with a magnetocrystalline anisotropy (MCA) energy of 0.66 meV/atom, while an in-plane MCA energy of 0.37 meV/atom is achieved in Rh film. Very interestingly, we find that both Ru/NiAl(001) and Rh/NiAl(001) films have perpendicular magnetic anisotropy and the calculated MCA energies are 0.66 and 1.11 meV in Ru/NiAl(001) and Rh/NiAl(001), respectively. Along with the magnetic anisotropy, we have presented theoretically calculated x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD) results.
利用完全势线性缀加平面波（FLAPW）方法，研究了二维 Ru 和 Rh 单层（ML）在 NiAl(001)表面的磁性质。研究发现，自由态单层 Ru 和 Rh 薄膜具有铁磁基态，其磁矩分别为 2.21 和 1.48 μ(B)。即使在 Ni 终止的 NiAl(001)表面上也观察到铁磁态，而在 Al 终止的表面上则没有发现磁态。Ru 和 Rh 原子的计算磁矩分别为 1.56 和 0.88 μ(B)。此外，还观察到表面 Ni 的诱导磁矩。研究发现，自由态 Ru 薄膜具有垂直于膜表面的磁化，其磁各向异性能为 0.66 meV/原子，而 Rh 薄膜的面内磁各向异性能为 0.37 meV/原子。非常有趣的是，我们发现 Ru/NiAl(001)和 Rh/NiAl(001)薄膜都具有垂直磁各向异性，其计算的磁各向异性能分别为 0.66 和 1.11 meV。我们还提出了理论计算的 X 射线吸收光谱（XAS）和 X 射线磁圆二色性（XMCD）结果。
