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arXiv 1102.2614cond-mat.mtrl-sci
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金中铁杂质的轨道磁矩和非本征自旋霍尔效应

Orbital magnetic moment and extrinsic spin Hall effect for iron impurity in gold

Alexander B. Shick, Jindrich Kolorenc, Vaclav Janis, Alexander I. Lichtenstein

摘要:

本文报道了金基质中铁杂质的电子结构计算。用LDA+ $U$关联带理论计算了自旋、轨道和偶极磁矩。结果表明,{ \em around-mean-field}-LDA+ $U$很好地再现了XMCD实验数据,并且不会导致Fe原子上形成大的轨道矩.此外,精确对角化的多轨道安德森杂质模型与完整的库仑相互作用矩阵和自旋轨道耦合进行,以估计自旋霍尔角。$γ_S \approx 0.025$值表明金中铁杂质的散射不存在巨外生自旋霍尔效应。

英文摘要:

We report electronic structure calculations of an iron impurity in gold host. The spin, orbital and dipole magnetic moments were investigated using the LDA+$U$ correlated band theory. We show that the {\em around-mean-field}-LDA+$U$ reproduces the XMCD experimental data well and does not lead to formation of a large orbital moment on the Fe atom. Furthermore, exact diagonalization of the multi-orbital Anderson impurity model with the full Coulomb interaction matrix and the spin-orbit coupling is performed in order to estimate the spin Hall angle. The obtained value $γ_S \approx 0.025$ suggests that there is no giant extrinsic spin Hall effect due to scattering on iron impurities in gold.

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