1ST PRINCIPLE CALCULATION OF THE MAGNETOCRYSTALLINE ANISOTROPY ENERGY OF FEPT AND COPT ORDERED ALLOYS
1ST PRINCIPLE CALCULATION OF THE MAGNETOCRYSTALLINE ANISOTROPY ENERGY OF FEPT AND COPT ORDERED ALLOYS
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DOI：
10.1143/jpsj.63.3053
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发表时间：
1994-08-01
影响因子：
1.7
通讯作者：
SAKUMA, A
中科院分区：
文献类型：
--
作者：
SAKUMA, A
在局域自旋密度泛函近似下，用LMTO-ASA方法对L1（0）-FePt和CoPt有序合金的自旋极化能带进行了包含自旋轨道相互作用的计算.结果表明，这两种合金的强单轴磁各向异性是由Pt原子的大自旋轨道耦合以及Pt d带与Fe（Co）d带的强杂化引起的。获得的磁晶各向异性能（MAE）对于FePt约为16 x 10（6）J/m3，对于CoPt约为9 x 10（6）J/m3。研究还发现，在实测轴比c/a附近，两种MAE都有随轴比c/a增大而增大的趋势。这可以被认为是与MAE随能带填充增加而减小的行为有关。
The spin-polarized band calculations including spin-orbit interaction for L1(0)-FePt and CoPt ordered alloys have been performed with LMTO-ASA method in the frame of local spin density functional approximation. It has been shown that strong uniaxial magnetic anisotropy of both alloys is brought about by a large spin-orbit coupling of Pt atom and a strong hybridization of Pt d bands with highly polarized Fe (Co) d bands. The obtained magnetocrystalline anisotropy energy (MAE) is about 16 x 10(6) J/m3 for FePt and 9 x 10(6) J/m3 for CoPt. It is also found that both MAE's have a trend of increase with increasing axial ratio c/a in the vicinity of measured c/a. This can be regarded as being associated with the behavior that the MAE's decrease with increasing band filling.