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首页> 外文期刊>Physical review >First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd-Tm series
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First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd-Tm series

机译：重稀土金属自旋无序电阻率的第一性原理研究：Gd-Tm系列

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Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin-disorder scattering. Here this spin-disorder resistivity is calculated for the Gd-Tm series of metals in the paramagnetic state. Calculations are performed within the tight-binding linear muffin-tin orbital method using two complementary methods: (1) averaging of the Landauer-Buettiker conductance of a supercell over random noncollinear spin-disorder configurations, and (2) linear response calculations with the spin-disordered state described in the coherent potential approximation. The agreement between these two methods is found to be excellent. The spin-disorder resistivity in the series follows an almost universal dependence on the exchange splitting. While the crystallographic anisotropy of the spin-disorder resistivity agrees well with experiment, its magnitude is significantly underestimated. These results suggest that the classical picture of slowly rotating self-consistent local moments is inadequate for rare-earth metals. A simple quantum correction improves agreement with experiment but does not fully account for the discrepancy, suggesting that more complicated scattering mechanisms may be important.
机译：重稀土金属的电阻率是热自旋无序散射的主要贡献。在此，针对顺磁性状态的Gd-Tm系列金属计算了该自旋无序电阻率。在紧密结合的线性松饼-锡轨道方法中，使用两种互补方法进行计算：（1）对随机非共线自旋无序构型的超级电池的Landauer-Buettiker电导求平均，以及（2）自旋的线性响应计算相干势近似中描述的无序状态。发现这两种方法之间的一致性非常好。系列中的自旋无序电阻率遵循对交换分裂的几乎普遍的依赖性。尽管自旋无序电阻率的晶体学各向异性与实验吻合得很好，但其幅度却被大大低估了。这些结果表明，对于稀土金属来说，缓慢旋转的自洽局部矩的经典图是不够的。简单的量子校正可以改善与实验的一致性，但不能完全解决差异问题，这表明更复杂的散射机制可能很重要。

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