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首页> 外文期刊>IEEE Transactions on Magnetics >Fully Relativistic Temperature-Dependent Electronic Transport Properties of Magnetic Alloys From the First Principles
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Fully Relativistic Temperature-Dependent Electronic Transport Properties of Magnetic Alloys From the First Principles

机译：从第一原理到磁合金完全相对论温度依赖的电子输运性质

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摘要

Ab initio calculations based on the fully relativistic Dirac approach and incorporating chemical disorder and temperature-induced atomic displacements (phonons) are presented. The tight-binding linear muffin-tin orbital method is used, and the multicomponent coherent potential approximation deals with the chemical disorder and phonons on the same level. Electrical resistivities calculated without and with spin-orbit interaction are compared, and the anomalous Hall effect for magnetic alloys is investigated. The developed technique is tested on pure nickel and on random binary Cu-Ni alloys. The calculated results are found to be in good agreement with experimental and other theoretical data. The combined effect of phonons and spin disorder, simulated within the disordered local moment state, has also been studied. The results confirm the validity of Matthiessen's rule in a wide range of temperatures for the electrical resistivity of pure nickel.
机译：提出了基于完全相对论狄拉克方法并结合了化学无序和温度引起的原子位移（声子）的从头计算。使用紧密结合的线性松饼-锡轨道方法，并且多组分相干势近似处理相同水平的化学无序和声子。比较了没有和有自旋轨道相互作用时计算的电阻率，并研究了磁性合金的异常霍尔效应。这项开发的技术已在纯镍和无规二元Cu-Ni合金上进行了测试。计算结果与实验和其他理论数据非常吻合。还研究了在无序局部矩状态下模拟的声子与自旋无序的组合效应。结果证实了马蒂森法则在宽温度范围内对于纯镍电阻率的有效性。

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