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001     171881
005     20210308102700.0
020 _ _ |a 978-3-89336-985-0
024 7 _ |2 Handle
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024 7 _ |2 ISSN
|a 1866-1907
037 _ _ |a FZJ-2014-05437
041 _ _ |a English
100 1 _ |0 P:(DE-Juel1)131065
|a Zimmermann, Bernd
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245 _ _ |a $\textit{Ab initio}$ description of transverse transport due to impurity scattering in transition-metals
|f 2014-05-06
260 _ _ |a Jülich
|b Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
|c 2014
300 _ _ |a 164 S.
336 7 _ |0 PUB:(DE-HGF)11
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|a Dissertation / PhD Thesis
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336 7 _ |0 2
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336 7 _ |2 DRIVER
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336 7 _ |2 BibTeX
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336 7 _ |2 ORCID
|a DISSERTATION
490 0 _ |a Schriften des Forschungszentrums Jülich. Reihe Schlüsseltechnologien / Key Technologies
|v 89
502 _ _ |a RWTH Aachen, Diss., 2010
|b Dr.
|c RWTH Aachen
|d 2010
520 _ _ |a This thesis attempts to shed light on various spin-orbit driven transport phenomenain materials, as a crucial for the further development of the field of spintronics. Inparticular, we address the skew-scattering mechanism in dilute alloys, which gives rise to the anomalous and spin Hall effect, as well as spin-relaxation processes. We create the tools to access these quantities from $\textit{ab initio}$ calculations in the framework of the full-potential all-electron Korringa-Kohn-Rostoker Green-function method, by (a) developing and implementing a new tetrahedron method for the calculation of complicated, multi-sheeted Fermi surfaces even of complex transition-metal compounds, and (b) developing an efficiently parallelized and thus highly scalable computer program (up to thousands of processors) for the precise calculation of scattering properties. In a first application of the new tetrahedron method, we calculate the Elliott-Yafet spin-mixing parameter on the Fermi surfaces of 5$\textit{d}$ and 6$\textit{sp}$ metals, and discover a yet unexplored dependence on the electron's spin-polarization direction. As we show, this anisotropy can reach gigantic values in uniaxial hcp crystals due to the emergenceof large spin-ip hot-areas or hot-loops on the Fermi surface, supported by the low symmetry of the hcp crystal. A simple model is able to reveal an interesting interplay between the orbital character of the states at special points, lines or areas in the Brillouin zone and the matrix-elements of the spin-flip part of the spin-orbit coupling operator. We further calculate the skew-scattering contribution to the anomalous Hall effect(AHE) in dilute alloys based on a ferromagnetic host for the first time. A systematic study of 3$\textit{d}$ impurities in bcc Fe, as well as the non-magnetic hosts Pd, Pt and Au, allows us to identify trends across the periodic table. In all our calculations, we also observe a strong correlation between the spin Hall effect and anomalous Hall effect in these materials, which is of interest for the creation and detection of strongly spin-polarized currents. A Fermi-surface analysis of the contributions to the AHE reveals a non-trivial, peaked behavior at small hot-spots around spin-orbit lifted degeneracies. We then proceed to the more complicated $\textit{L}$1$_{0}$-ordered alloy FePt and address different kinds of disorder. We showcase the power of our method by treating the very complicated compounds Fe$_{x}$Mn$_{1-x}$Si and MnSi$_{1-x}$Ge$_{x}$, based on the non-Fermi liquid manganese silicide (MnSi). Finally, we also calculate the pure spin Hall effect for 4$\textit{d}$/5$\textit{sp}$ and 5$\textit{d}$/6$\textit{sp}$ impurities in fcc Ir and hcp Re hosts. For the latter, we discover a strong dependence on the electron's spin-polarization direction.
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773 _ _ |y 2014
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