The resistivity of rare earth impurities diluted in Lanthanum (Part I)

Viviana P. Ramunni
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Abstract

In this work we study the temperature independent resistivity of rare-earth magnetic (Gd, Tb, Dy) and non-magnetic (Lu) impurities diluted in dhcp Lanthanum. We considered a two-band system where the conduction is entirely due to $s$-electrons while the screening of the charge difference induced by the impurity is made by the $d$-electrons. We obtain an expression of the resistivity using the $T$-matrix formalism from the Dyson equation. As the electronic properties depend strongly on the band structure, we have considered two types of bands structure, a "parabolic" band and a more realistic one calculated by first principles with VASP. We verify that the exchange parameters appearing as cross products strongly affect the magnitude of the spin resistivity term; And that the role of the band structure in resonant scattering or virtual bound states, depends on the band structure. Our study, also includes the influence of the translational symmetry breaking and the excess charge introduced by the {\it rare-earth} impurity on the resitivity.
稀土杂质在镧中的电阻率(第一部分)
在这项工作中,我们研究了稀土磁性(Gd、Tb、Dy)和非磁性(Lu)杂质稀释在 dhcpLanthanum 中与温度无关的电阻率。我们考虑了一个双带系统,其中传导完全由 s 电子完成,而杂质引起的电荷差的屏蔽则由 d 电子完成。我们利用戴森方程中的 $T$ 矩阵形式得到了电阻率的表达式。由于电子特性在很大程度上取决于能带结构,我们考虑了两种能带结构,一种是 "抛物线 "能带,另一种是用 VASP 根据第一性原理计算的更现实的能带。我们验证了作为交叉积累出现的交换参数会强烈影响自旋电阻率项的大小;而且带状结构在共振散射或虚拟束缚态中的作用取决于带状结构。我们的研究还包括平移对称性破缺和{it稀土}杂质引入的额外电荷对电阻率的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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