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First-Principles Simulations of Multi-Orbital Systems with Strong Electronic Correlations

Brigitte Hänger

Published Jan 1, 2011• 0 citations
Publisher
DOI
10.3929/ethz-a-6665042

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We investigate the effects of electronic correlations on the Bernevig-Hughes-Zhang model using the real-space density matrix renormalization group (DMRG) algorithm. We introduce a method to probe topological phase transitions in systems with strong correlations using DMRG, substantiated by an unsupervised machine learning methodology that analyzes the orbital structure of the real-space edges. Including the full multi-orbital Hubbard interaction term, we construct a phase diagram as a function of a gap parameter (mmm) and the Hubbard interaction strength (UUU) via exact DMRG simulations on $N\ifmmode\times\else\texttimes\fi{}4$ cylinders. Our analysis confirms that the topological phase persists in the presence of interactions, consistent with previous studies, but it also reveals an intriguing phase transition from a paramagnetic to a stripey antiferromagnetic topological insulator. The combination of the magnetic structure factor, strength of magnetic moments, and the orbitally resolved density, provides real-space information on both topology and magnetism in a strongly correlated system.