非晶合金局部磁各向异性理论

C. Elsässer, M. Fähnle, E. Brandt, M. Böhm
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引用次数: 23

摘要

在半经验自一致Hartree-Fock方法的基础上,对55种不同的非晶态铁簇(12-14个原子)进行了微扰处理,研究了非晶态过渡金属合金中局部自旋-轨道耦合引起的局部磁各向异性。相应的结构单元已从一个大型非晶模型结构(2048个原子)中选择。数值方法导致了局部易方向和局部各向异性能量的随机分布。后者与单轴晶体铁磁体具有相同的数量级。本理论与Cochrane et al.(1974)的点电荷模型进行了比较,研究了含稀土原子的非晶合金的局部各向异性。
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Theory of local magnetic anisotropy in amorphous alloys
The local magnetic anisotropy in amorphous transition metal alloys caused by local spin-orbit coupling has been studied by a perturbation treatment on the basis of a semi-empirical self-consistent Hartree-Fock approach for 55 different amorphous iron clusters (12-14 atoms). The corresponding structural units have been selected from a large amorphous model structure (2048 atoms). The numerical approach leads to a random distribution of the local easy directions and local anisotropy energies. The latter are of the same order of magnitude as those of uniaxial crystalline ferromagnets. The present theory is compared with the point-charge model of Cochrane et al. (1974), for the local anisotropy in amorphous alloys containing rare-earth atoms.
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