Transport properties of permalloy doped with V, Co, Pt, and Au are explored via ab-initio calculations. the Kubo-Bastin formula is evaluated within the fully relativistic Korringa-Kohn-Rostoker Green function formalism. Finite temperature effects are treated by means of the alloy analogy model. It is shown that the fact that the host is disordered and not crystalline has a profound effect on how the conductivities characterizing the anomalous Hall effect and the spin Hall effect depend on the dopant concentration. Several relationships between quantities characterizing charge and spin transport are highlighted. The decrease of the longitudinal charge conductivity with increasing doping depends on the dopant type, following the sequence Co–Au–Pt–V. The dependence of the anomalous Hall and spin Hall conductivities on the dopant concentration is found to be non-monotonic. Introducing a finite temperature changes the overall trends significantly. The theoretical results are compared with available experimental data.

中文翻译：

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掺杂坡莫合金的传输特性通过ab初始计算：宿主疾病的影响

通过从头算计算，研究了掺有V，Co，Pt和Au的坡莫合金的传输特性。Kubo-Bastin公式在完全相对论的Korringa-Kohn-Rostoker Green函数形式主义中进行评估。通过合金类比模型来处理有限的温度效应。结果表明，主体无序而不是结晶这一事实对表征异常霍尔效应和自旋霍尔效应的电导率如何取决于掺杂剂浓度具有深远的影响。着重说明了表征电荷和自旋传输的量之间的几种关系。随着掺杂的增加，纵向电荷电导率的降低取决于掺杂剂的类型，其顺序为Co–Au–Pt–V。发现异常霍尔和自旋霍尔电导率对掺杂剂浓度的依赖性是非单调的。引入有限的温度会显着改变总体趋势。将理论结果与可用的实验数据进行比较。