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Titel:Multiband Gutzwiller-Theorie des Bandmagnetismus von LaO-Eisen-Arsenid
Autor:Schickling, Tobias
Weitere Beteiligte: Gebhard, Florian (Prof. Dr.)
URN: urn:nbn:de:hebis:04-z2012-00880
DDC:530 Physik
Titel(trans.):Multiband Gutzwiller theory of bandmagnetism in LaO-iron-arsenide


korrelierte Elektronen, LaOFeAs, LaOFeAs, iron arsenide, Eisenarsenid, correlated electrons, Gutzwiller theory, Hubbard-Modell, Gutzwiller-Theorie, Eisenpniktide, Supraleitung, iron pnictides

In dieser Arbeit wenden wir die Gutzwiller-Theorie auf verschiedene Modelle von LaOFeAs an. Im Jahr 2008 wurde entdeckt, dass dotiertes LaOFeAs unterhalb einer kritischen Temperatur von Tc=28 K supraleitend wird. Schon bald nach dieser Entdeckung wurden weitere eisenbasierte Materialien gefunden, die eine zu LaOFeAs ähnliche atomare Struktur besitzen und ebenfalls supraleitend sind. Diese Materialien bilden die Klasse der eisenbasierten Supraleiter. Viele Eigenschaften dieser Klasse stimmen erstaunlich gut mit den Eigenschaften der Kuprate überein. Daher besteht die Möglichkeit, dass eine Erforschung dieser Klasse das Verständnis von Hochtemperatursupraleitung verbessern könnte. Trotz großer Anstrengung können Dichtefunktionalrechnungen nicht das kleine magnetische Moment in undotiertem LaOFeAs reproduzieren. Solche Rechnungen überschätzen das magnetische Moment um einen Faktor 2-3. Mit Hilfe unseres Gutzwiller-Ansatzes können wir die lokalen Coulomb-Wechselwirkungen besser berücksichtigen. Wir zeigen, dass es notwendig ist, die 3d-Orbitale des Eisens und die 4p-Orbitale des Arsens explizit zu behandeln. Somit finden wir in einem großen Parameterbereich der lokalen elektronischen Wechselwirkungen ein kleines magnetisches Moment, das im Bereich der Werte der experimentellen Messungen liegt. Weiterhin zeigen wir, dass man den Magnetismus in LaOFeAs als Bandmagnetismus von Landau-Gutzwiller-Quasiteilchen verstehen kann.

In this work we apply the Gutzwiller theory for various models for LaOFeAs. It was discovered in 2008 that doped LaOFeAs is superconducting below a temperature of Tc=28 K. Soon after that discovery, more iron based materials were found which have an atomic structure that is similar to the one of LaOFeAs and which are also superconducting. These materials form the class of iron-based superconductors. Many properties of this material class are in astonishing agreement with the properties of the cuprates. Therefore, studying this new material may promote our understanding of high-Tc superconductivity. Despite great efforts, however, Density Functional Theory calculations cannot reproduce the small magnetic moment in the ground state of undoped LaOFeAs. Such calculations overestimate the magnetic moment by a factor 2-3. Within our Gutzwiller approach, we take additional local Coulomb correlations into account. We show that it is necessary to work with the iron 3d-orbitals and the arsenic 4p-orbitals to obtain a realistic description of LaOFeAs. For a broad parameter regime of the electronic interactions, we find a magnetic moment that is in the region of the experimentally observed values. We claim that the magnetic phase in LaOFeAs can be described as a spin-density wave of Landau-Gutzwiller quasi-particles.

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