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000151022 020__ $$a978-3-89336-934-8
000151022 037__ $$aFZJ-2014-01052
000151022 041__ $$aEnglish
000151022 1001_ $$0P:(DE-Juel1)130526$$aBauer, David Siegfried Georg$$b0$$eCorresponding author$$gmale$$ufzj
000151022 245__ $$aDevelopment of a relativistic full-potential first-principles multiple scattering Green function method applied to complex magnetic textures of nano structures at surfaces$$f2014-01-29
000151022 260__ $$aJülich$$bForschungszentrum Jülich GmbH Zentralbibliothek, Verlag$$c2014
000151022 300__ $$a193 S.
000151022 3367_ $$0PUB:(DE-HGF)11$$2PUB:(DE-HGF)$$aDissertation / PhD Thesis$$bphd$$mphd$$s151022
000151022 3367_ $$02$$2EndNote$$aThesis
000151022 3367_ $$2DRIVER$$adoctoralThesis
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000151022 4900_ $$0PERI:(DE-600)2445293-2$$aSchriften des Forschungszentrums Jülich. Reihe Schlüsseltechnologien / Key Technologies$$v79
000151022 502__ $$aRWTH Aachen, Diss., 2009$$bDr.$$cRWTH Aachen$$d2009
000151022 500__ $$3POF3_Assignment on 2016-02-29
000151022 520__ $$aThis thesis is concerned with the quantum mechanical investigation of a novel class of magnetic phenomena in atomic- and nanoscale-sized systems deposited on surfaces or embedded in bulk materials that result from a competition between the exchange and the relativistic spin-orbit interactions. The thesis is motivated by the observation of novel spin-textures of one- and two-dimensional periodicity of nanoscale pitchlength exhibiting a unique winding sense observed in ultra-thin magnetic lms on nonmagnetic metallic substrates with a large spin-orbit interaction. The goal is to extend this eld to magnetic clusters and nano-structures of nite size in order to investigate in how far the size of the cluster and the atoms at the edge of the cluster or ribbon that are particular susceptible to relativistic eects change the balance betweendierent interactions and thus lead to new magnetic phenomena. As an example, the challenging problem of Fe nano-islands on Ir(111) is addressed in detail as for an Fe monolayer on Ir(111) a magnetic nanoskyrmion lattice was observed as magnetic structure.To achieve this goal a new rst-principles all-electron electronic structure code based on density functional theory was developed. The method of choice is the Korringa-Kohn-Rostoker (KKR) impurity Green function method, resorting on a multiple scattering approach. This method has been conceptually further advanced to combine the neglect of any shape approximation to the full potential, with the treatment ofnon-collinear magnetism, of the spin-orbit interaction, as well as of the structural relaxation together with the perfect embedding of a nite size magnetic cluster of atoms into a surface or a bulk environment. For this purpose the formalism makes use of an expansion of the Green function involving explicitly left- and right-hand side scattering solutions. Relativistic eects are treated via the scalar-relativistic approximation and a spin-orbit coupling term treated self-consistently. This required the development of a new algorithm to solve the relativistic quantum mechanical scattering problem for a single atom with a non-spherical potential formulated in terms of the Lippmann-Schwinger integral equation. Prior to the investigation of the Fe nano-islands, the magnetic structure of an Fe monolayer is studied using atomistic spin-dynamics on the basis of a classical model Hamiltonian, which uses realistic coupling parameters obtained from rst principles. It is shown that this method is capable to nd the experimentally determined magnetic structure. [...]
000151022 536__ $$0G:(DE-HGF)POF2-422$$a422 - Spin-based and quantum information (POF2-422)$$cPOF2-422$$fPOF II$$x0
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000151022 9141_ $$y2014
000151022 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130526$$aForschungszentrum Jülich GmbH$$b0$$kFZJ
000151022 9132_ $$0G:(DE-HGF)POF3-529H$$1G:(DE-HGF)POF3-520$$2G:(DE-HGF)POF3-500$$aDE-HGF$$bKey Technologies$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vAddenda$$x0
000151022 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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000151022 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0
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