Calculated magnetic properties of binary alloys between Fe, Co, Ni, and Cu
Calculated magnetic properties of binary alloys between Fe, Co, Ni, and Cu
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DOI：
10.1103/physrevb.59.419
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发表时间：
1999-01-01
影响因子：
3.7
通讯作者：
Abrikosov, IA
中科院分区：
文献类型：
--
作者：
James, P;Eriksson, O;Abrikosov, IA
我们提出了一个详细的理论研究的磁性之间的3D元素Fe，Co，Ni和Cu，在费，体心立方和六方晶系结构的所有二元合金结合线性松饼-锡轨道基组的相干势近似。我们考虑随机，有序和部分有序合金。理论证明，成功地再现这些合金的磁性，并允许在这些系统中的磁矩形成的物理学的理解。我们研究了磁性与局部化学和磁性环境之间的关系，发现Fe和Ni表现出相当不同的行为。我们的研究表明，在所有的Fe基fee和hcp合金中都存在合金诱导的高自旋-低自旋磁相变。在非共线计算的基础上，讨论了共线自旋模型和韦斯模型在解释因瓦效应时的局限性。[S0163 - 1829（98）03146 - 4]。
We present a detailed theoretical investigation of the magnetic properties of all the binary alloys between the 3d elements Fe, Co, Ni, and Cu, in the fee, bcc, and hcp structures using the coherent-potential approximation in combination with a linear muffin-tin orbitals basis set. We consider random, ordered, and partially ordered alloys. Theory is shown to successfully reproduce the magnetic properties of these alloys, and allows an understanding of the physics of the formation of magnetic moments in these systems. We have investigated the correlation between magnetism and local chemical and magnetical surrounding, and find that Fe and Ni display rather different behavior. Our study shows that there is an alloy-induced high-spin-low-spin magnetic phase transition in all Fe-based fee and hcp alloys. The limitations of a collinear spin model and the Weiss model for explaining the Invar effect are discussed on basis of noncollinear calculations for fee Fe. [S0163-1829(98)03146-4].