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arXiv:1303.2727 · Physical Review B

Topological phase transition in a generalized Kane-Mele-Hubbard model: A combined quantum Monte Carlo and Green's function study

Hsiang-Hsuan Hung, Lei Wang, Zheng‐Cheng Gu, Gregory A. Fiete

Published Mar 27, 2013• 54 citations
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Abstract

We study a generalized Kane-Mele-Hubbard model with third-neighbor hopping, an interacting two-dimensional model with a topological phase transition as a function of third-neighbor hopping, by means of the determinant projector quantum Monte Carlo method. This technique is essentially numerically exact on models without a fermion sign problem, such as the one we consider. We determine the interaction dependence of the ${Z}_{2}$ topological insulator/trivial insulator phase boundary by calculating the ${Z}_{2}$ invariants directly from the single-particle Green's function. The interactions push the phase boundary to larger values of third-neighbor hopping, thus, stabilizing the topological phase. The observation of boundary shifting entirely stems from quantum fluctuations. We also identify qualitative features of the single-particle Green's function which are computationally useful in numerical searches for topological phase transitions without the need to compute the full topological invariant.

DOI
10.1103/physrevb.87.121113

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We study a generalized Kane-Mele-Hubbard model with third-neighbor hopping, an interacting two-dimensional model with a topological phase transition as a function of third-neighbor hopping, by means of the determinant projector quantum Monte Carlo method. This technique is essentially numerically exact on models without a fermion sign problem, such as the one we consider. We determine the interaction dependence of the Z2{Z}_{2}Z2​ topological insulator/trivial insulator phase boundary by calculating the Z2{Z}_{2}Z2​ invariants directly from the single-particle Green's function. The interactions push the phase boundary to larger values of third-neighbor hopping, thus, stabilizing the topological phase. The observation of boundary shifting entirely stems from quantum fluctuations. We also identify qualitative features of the single-particle Green's function which are computationally useful in numerical searches for topological phase transitions without the need to compute the full topological invariant.
We theoretically study topological phase transitions in four generalized versions of the Kane-Mele-Hubbard model with up to $2\ifmmode\times\else\texttimes\fi{}{18}^{2}$ sites. All models are free of the fermion-sign problem allowing numerically exact quantum Monte Carlo (QMC) calculations to be performed to extremely low temperatures. We numerically compute the Z2{\mathbb{Z}}_{2}Z2​ invariant and spin Chern number ${C}_{\ensuremath{\sigma}}$ directly from the zero-frequency single-particle Green's functions, and study the topological phase transitions driven by the tight-binding parameters at different on-site interaction strengths. The Z2{\mathbb{Z}}_{2}Z2​ invariant and spin Chern number, which are complementary to each another, characterize the topological phases and identify the critical points of topological phase transitions. Although the numerically determined phase boundaries are nearly identical for different system sizes, we find strong system-size dependence of the spin Chern number, where quantized values are only expected upon approaching the thermodynamic limit. For the Hubbard models we considered, the QMC results show that correlation effects lead to shifts in the phase boundaries relative to those in the noninteracting limit, without any spontaneously symmetry breaking. The interaction-induced shift is nonperturbative in the interactions and cannot be captured within a ``simple'' self-consistent calculation either, such as Hartree-Fock. Furthermore, our QMC calculations suggest that quantum fluctuations from interactions stabilize topological phases in systems where the one-body terms preserve the D3{D}_{3}D3​ symmetry of the lattice, and destabilize topological phases when the one-body terms break the D3{D}_{3}D3​ symmetry.
We theoretically study topological phase transitions in two generalized versions of the Kane-Mele-Hubbard model on a finite portion of the honeycomb lattice with up to 2×1822\times 18^22×182 sites. Both models are free of the fermion-sign problem allowing numerically exact quantum Monte Carlo calculations to be performed in the low-temperature regime. We numerically compute the Z2Z_2Z2​ invariant and the spin-Chern number directly from the zero-frequency single-particle Greens function for different values of on-site interaction and tune tight-binding parameters to drive topological phase transitions. While phase boundaries are nearly identical for different system sizes, we find a rather strong system-size dependence of the spin Chern number, with the expected quantized value only slowly approached for the largest system sizes. Moreover, we find that quantum fluctuation effects from interactions can act both to stabilize and destabilize topological phases, depending on the details of the model.
Topological insulators present a bulk gap, but allow for dissipationless spin transport along the edges. These exotic states are characterized by the Z2 topological invariant and are protected by time-reversal symmetry. The Kane–Mele model is one model to realize this topological class in two dimensions, also called the quantum spin Hall state. In this brief review article, we provide a pedagogical introduction to the influence of correlation effects in the quantum spin Hall states, with special focus on the half-filled Kane–Mele–Hubbard model, solved by means of unbiased determinant quantum Monte Carlo (QMC) simulations. We explain the idea of identifying the topological insulator via π-flux insertion, the Z2 invariant and the associated behavior of the zero-frequency Green's function, as well as the spin Chern number in parameter-driven topological phase transitions. The examples considered are two descendants of the Kane–Mele–Hubbard model, the generalized and dimerized Kane–Mele–Hubbard model. From the Z2 index, spin Chern numbers and the Green's function behavior, one can observe that correlation effects induce shifts of the topological phase boundaries. Although the implementation of these topological quantities has been successfully employed in QMC simulations to describe the topological phase transition, we also point out their limitations as well as suggest possible future directions in using numerical methods to characterize topological properties of strongly correlated condensed matter systems.
The dimerized Kane-Mele model with/without strong interaction is studied using analytical methods. The boundary of the topological phase transition of the model without strong interaction is obtained. Our results show that the occurrence of the transition only depends on dimerized parameter [Formula: see text]. From the one-particle spectrum, we obtain the completed phase diagram including the quantum spin Hall state and the topologically trivial insulator. Then, using different mean field methods, we investigate the Mott transition and the magnetic transition of the strongly correlated dimerized Kane-Mele model. In the region between the two transitions, the topological Mott insulator with characteristics of Mott insulators and topological phases may be the most interesting phase. In this work, the effects of hopping anisotropy and Hubbard interaction U on the boundaries of the two transitions are observed in detail. The completed phase diagram of the dimerized Kane-Mele-Hubbard model is also obtained in this work. Quantum fluctuations have extremely important influences on a quantum system. However, investigations are under the framework of mean field treatment in this work and the effects of fluctuations in this model will be discussed in the future.
We study the boundary criticality in 2D interacting topological insulators. Using the determinant quantum Monte Carlo method, we present a nonperturbative study of the boundary quantum phase diagram in the Kane-Mele-Hubbard-Rashba model. Our results reveal rich boundary critical phenomena at the quantum phase transition between a topological insulator and an antiferromagnetic insulator, encompassing ordinary, special, and extraordinary transitions. Combining analytical derivation of the boundary theory with unbiased numerically exact quantum Monte Carlo simulations, we demonstrate that the presence of topological edge states enriches the ordinary transition that renders a continuous boundary scaling dimension and, more intriguingly, leads to a special transition of the Berezinskii-Kosterlitz-Thouless type. Our work establishes a framework for the nonperturbative study of boundary criticality in two-dimensional topological systems with strong electron correlations.
Using exact diagonalization and quantum Monte Carlo calculations we investigate the effects of disorder on the phase diagram of both noninteracting and interacting models of two-dimensional topological insulators. In the fermion sign problem-free interacting models we study, electron-electron interactions are described by an on-site repulsive Hubbard interaction and disorder is included via the one-body hopping operators. In both the noninteracting and interacting models we make use of recent advances in highly accurate real-space numerical evaluation of topological invariants to compute phase boundaries and in the noninteracting models determine critical exponents of the transitions. We find different models exhibit distinct stability conditions of the topological phase with respect to interactions and disorder. We provide a general analytical theory that accurately predicts these trends.