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000171881 0247_ $$2ISSN$$a1866-1907
000171881 020__ $$a978-3-89336-985-0
000171881 037__ $$aFZJ-2014-05437
000171881 041__ $$aEnglish
000171881 1001_ $$0P:(DE-Juel1)131065$$aZimmermann, Bernd$$b0$$eCorresponding Author$$gmale$$ufzj
000171881 245__ $$a$\textit{Ab initio}$ description of transverse transport due to impurity scattering in transition-metals$$f2014-05-06
000171881 260__ $$aJülich$$bForschungszentrum Jülich GmbH Zentralbibliothek, Verlag$$c2014
000171881 300__ $$a164 S.
000171881 3367_ $$0PUB:(DE-HGF)11$$2PUB:(DE-HGF)$$aDissertation / PhD Thesis$$bphd$$mphd$$s171881
000171881 3367_ $$02$$2EndNote$$aThesis
000171881 3367_ $$2DRIVER$$adoctoralThesis
000171881 3367_ $$2BibTeX$$aPHDTHESIS
000171881 3367_ $$2DataCite$$aOutput Types/Dissertation
000171881 3367_ $$2ORCID$$aDISSERTATION
000171881 4900_ $$aSchriften des Forschungszentrums Jülich. Reihe Schlüsseltechnologien / Key Technologies$$v89
000171881 502__ $$aRWTH Aachen, Diss., 2010$$bDr.$$cRWTH Aachen$$d2010
000171881 520__ $$aThis 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.
000171881 536__ $$0G:(DE-HGF)POF2-422$$a422 - Spin-based and quantum information (POF2-422)$$cPOF2-422$$fPOF II$$x0
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000171881 773__ $$y2014
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000171881 9132_ $$0G:(DE-HGF)POF3-143$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$aDE-HGF$$bPOF III$$lForschungsbereich Energie$$vFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$x0
000171881 9131_ $$0G:(DE-HGF)POF2-422$$1G:(DE-HGF)POF2-420$$2G:(DE-HGF)POF2-400$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bSchlüsseltechnologien$$lGrundlagen zukünftiger Informationstechnologien$$vSpin-based and quantum information$$x0
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000171881 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x0
000171881 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x1
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