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Electronic transport in ferromagnetic alloys and the Slater-Pauling curve

机译：铁磁合金中的电子传输和Slater-Pauling曲线

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Experimental measurements of the residual resistivity p(x) of the binary-alloy system Fe_(1-x)Cr_x have shown anomalous concentration dependence which deviates significantly from Nordheim's rule. In the low (x < 10%) Cr concentration regime the resistivity has been found to increase linearly with x until ≈10% Cr where the resistivity reaches a plateau persisting to ≈20% Cr. In this paper we present ab initio calculations of ρ(x) which explain this anomalous behavior and which are based on the Korringa-Kohn-Rostoker method in conjunction with the Kubo-Greenwood formalism. Furthermore we are able to show that the effects of short-range ordering or clustering have little effect via our use of the nonlocal coherent-potential approximation. For the interpretation of the results we study the alloy electronic structure by calculating the Bloch spectral function particularly in the vicinity of the Fermi energy. From the analysis of our results we infer that a similar behavior of the resistivity should also be obtained for iron-rich Fe_(1-x)V_x alloys-an inference confirmed by further explicit resistivity calculations. Both of these alloy systems belong to the same branch of the famous Slater-Pauling plot, and we postulate that other alloy systems from this branch should show a similar behavior. Our calculations show that the appearance of the plateau in the resistivity can be attributed to the dominant contribution of minority-spin electrons to the conductivity which is nearly unaffected by the increase in Cr/V concentration x, and we remark that this minority-spin electron feature is also responsible for the simple linear variation in the average moment in the Slater-Pauling plot for these materials.
机译：对二元合金系统Fe_（1-x）Cr_x的残余电阻率p（x）进行的实验测量表明，异常浓度依赖关系明显偏离了Nordheim规则。在低（x <10％）Cr浓度条件下，发现电阻率随x线性增加，直到≈10％Cr为止，在此处电阻率达到稳定水平，并保持≈20％Cr。在本文中，我们介绍了ρ（x）的从头算算，该算式解释了这种异常行为，并且基于Korringa-Kohn-Rostoker方法和Kubo-Greenwood形式主义进行了计算。此外，通过使用非局部相干势近似，我们能够证明短距离排序或聚类的影响几乎没有。为了解释结果，我们通过计算Bloch谱函数（特别是在费米能量附近）来研究合金电子结构。从对结果的分析中我们可以得出结论，对于富铁的Fe_（1-x）V_x合金，也应获得相似的电阻率行为，这一结论已通过进一步明确的电阻率计算得到了证实。这两种合金系统都属于著名的Slater-Pauling图的同一分支，并且我们假定该分支中的其他合金系统应表现出相似的行为。我们的计算表明，电阻率中的高原现象可以归因于少数自旋电子对电导率的主要贡献，而这几乎不受Cr / V浓度x的增加的影响，我们注意到这种少数自旋电子这些材料在Slater-Pauling图中平均力矩的简单线性变化也是特征。

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  • 来源
    《Physical review》 |2009年第11期|177-184|共8页
  • 作者

    S. Lowitzer; D. Koedderitzsch; H. Ebert; J. B. Staunton;

  • 作者单位

    Department Chemie und Biochemie, Physikalische Chemie, Universitaet Muenchen, Butenandstr. 5-13, 81377 Muenchen, Germany;

    Department Chemie und Biochemie, Physikalische Chemie, Universitaet Muenchen, Butenandstr. 5-13, 81377 Muenchen, Germany;

    Department Chemie und Biochemie, Physikalische Chemie, Universitaet Muenchen, Butenandstr. 5-13, 81377 Muenchen, Germany;

    Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom;

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  • 正文语种 eng
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  • 关键词

    electronic conduction in metals and alloys; transition metals and alloys;

    机译：金属和合金中的电子传导;过渡金属和合金;

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