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TT: Fachverband Tiefe Temperaturen

TT 79: Correlated Electrons - Poster Session

TT 79.34: Poster

Mittwoch, 2. April 2014, 15:00–19:00, P2

LDA+Slave-Boson Mean-Field Theory: itinerant electrons, magnetism and dynamics in realistic materials with multi-orbital degrees of freedom — •Christoph Piefke, Malte Behrmann, and Frank Lechermann — Uni Hamburg

The rotationally invariant slave-boson mean-field theory (RISB) in combination with the LDA framework is used to investigate strongly interacting systems [2]. In a tailored correlated subspace the multi-orbital Hubbard Hamiltonian is mapped onto an itinerant quasiparticle part and localized bosonic degrees of freedom. This decouples complex interactions (e.g. spin-flip, pair-hopping, spin-orbit coupling), quartic in the original electron operators, at the cost of a set of constraints. At saddle-point, a self-consistent mean-field solution is obtained. With rigorous derivation of the slave-boson formalism by matrix calculus over complex numbers and group theory, we show how to reduce the number of parameters in our functional. The connection to similar approaches within the Gutzwiller formalism [2] will be discussed. Finally, we also investigate the dynamical behaviour of quasiparticles and multiplets after sudden changes of interaction parameters via the time-dependent extension of the RISB method [3].
C. Piefke, L. Boehnke, A. Georges, F. Lechermann, Phys. Rev. B 82, 165118 (2010)
N. Lanatà, H. Strand, X. Dai, B. Hellsing, Phys. Rev. B 85, 035133 (2012)
M. Behrmann, M. Fabrizio and F. Lechermann, Phys. Rev. B 88, 035116 (2013)