2015 年 39 巻 2 号 p. 37-43
We studied the mechanism of the magnetic anisotropy in distorted bct-Fe50Co50 ordered alloys layered on Rh using a first principles calculation. For this purpose, we evaluated the uniaxial anisotropy constant Ku and decomposed it into the bulk contribution Kv and the interface contribution Kint. We discussed the origins of these contributions from the site-resolved Ku. The Kv of the [Fe/Co]/Rh almost reproduces the Ku of the bulk bct-Fe50Co50 in the case of both Fe/Rh and Co/Rh interfaces because the Ku value at the inner layers of the [Fe/Co] is almost the same as that at the corresponding atoms in the bulk FeCo. As for Kint, it has a negative value in the two interface cases because the Ku value of the Fe and Co atoms at the Rh interface is almost reduced to zero, which is primarily due to the collapse of the characteristic band structure in the [Fe/Co] (c/a > 1) by the mixing of electronic states with the Rh atoms.