Berlin 2012 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 34: Correlated Electrons: Metal-Insulator Transition 1
TT 34.3: Vortrag
Mittwoch, 28. März 2012, 17:00–17:15, H 3010
Correlated multiorbital systems, a Gutzwiller study — Nicola Lanata’1, •Hugo U. R. Strand1, Xi Dai2, and Bo Hellsing1 — 1University of Gothenburg, SE-412 96 Gothenburg, Sweden — 2Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
We present a numerical method for the minimization of general multiorbital Gutzwiller variational wavefunctions in the Gutzwiller approximation [1]. The method is general in the sense that it can treat any type of local interaction, in particular spin-flip and pair-hopping interactions. To construct the variational wavefunction, we apply the φ-matrix formalism [2], and present a general approach for how to reduce the variational space by imposing lattice point group symmetries.
Using our numerical method we study the multiorbital Hubbard model for d-electron systems with rotational invariant Kanamori-interaction. The variational wavefunction is restricted to cubic symmetry and the properties of the model is studied with respect to; total electron filling, eg - t2g crystal field splitting and interaction strength.
This work is an extension of the Gutzwiller solver, used in the first principles LDA+Gutzwiller method [3], to general local interactions.
N. Lanatà, H. U. R. Strand, X. Dai, B. Hellsing,
(arXiv:1108.0180)
N. Lanatà, P. Barone, M. Fabrizio,
Phys. Rev. B 78, 155127 (2008)
X. Y. Deng, L. Wang, X. Dai, Z. Fang,
Phys. Rev. B 79, 075114 (2009)