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arXiv:1412.7360 · Physical Review B

Theoretical prediction of fragile Mott insulators on plaquette Hubbard lattices

Han-Qing Wu, Rong-Qiang He, Zi Yang Meng, Zhong-Yi Lu

Published Mar 18, 2015• 7 citations
arXivHTMLPDF

Abstract

Employing extensive cellular dynamical mean-field theory calculations with an exact diagonalization impurity solver, we investigate the ground-state phase diagrams and nonmagnetic metal-insulator transitions of the half-filled Hubbard model on two plaquette (the 1/5 depleted and checkerboard) square lattices. We identify three different insulators in the phase diagrams: dimer insulator, antiferromagnetic insulator, and plaquette insulator. We also demonstrate that the plaquette insulator is a novel fragile Mott insulator (FMI) which features a nontrivial one-dimensional irreducible representation of the ${C}_{4v}$ crystalline point group and cannot be adiabatically connected to any band insulator with time-reversal symmetry. Furthermore, we study the nonmagnetic quantum phase transitions from the metal to the FMI and find that this Mott metal-insulator transition is characterized by the splitting of the noninteracting bands due to interaction effects.

DOI
10.1103/physrevb.91.125128

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We prove that there exists a class of crystalline insulators, which we call "fragile Mott insulators," which are not adiabatically connected to any sort of band insulator provided time-reversal and certain point-group symmetries are respected, but which are otherwise unspectacular in that they exhibit no topological order nor any form of fractionalized quasiparticles. Different fragile Mott insulators are characterized by different nontrivial one-dimensional representations of the crystal point group. We illustrate this new type of insulators with two examples: the d Mott insulator discovered in the checkerboard Hubbard model at half-filling and the Affleck-Kennedy-Lieb-Tasaki insulator on the square lattice.
Employing a combination of functional renormalization group calculations and projective determinantal quantum Monte Carlo simulations, we examine the Hubbard model on the square lattice bilayer at half filling. From this combined analysis, we obtain a comprehensive account of the ground-state phase diagram with respect to the extent of the system's metallic and (antiferromagnetically ordered) Mott-insulating as well as band-insulating regions. By means of an unbiased functional renormalization group approach, we exhibit the antiferromagnetic Mott-insulating state as the relevant instability of the free metallic state, induced by any weak finite on-site repulsion. Upon performing a careful analysis of the quantum Monte Carlo data, we resolve the difficulty of identifying this antiferromagnetic ground state for finite interlayer hopping in the weak-coupling regime, where nonmonotonic finite-size corrections are shown to relate to the two-sheeted Fermi surface structure of the metallic phase. On the other hand, quantum Monte Carlo simulations are well suited to identify the transition between the Mott-insulating phase and the band insulator in the intermediate-to-strong coupling regime. Here, we compare our numerical findings to indications for the transition region obtained from the functional renormalization group procedure.
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We investigate a nonmagnetic metal-insulator transition in the 1/5-depleted square lattice Hubbard model at half filling within the eight-site cellular dynamical mean field theory. We find that a metal-insulator transition without any signatures of a first-order transition, a continuous Mott transition, takes place in a certain range of parameters. The nature of the continuous Mott transition is merely a Lifshitz transition driven by the on-site Coulomb interaction. The renormalized matrix elements of hoppings and the spin-spin correlation functions reveal that the physics of this transition is a strong enhancement of the dimerization due to the nonlocal effects of the electron-electron interaction.
Abstract. We investigate the phase diagram of the square lattice bilayer Hubbard model at half filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of the interlayer hopping t ⊥ and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: An antiferromagnetic Mott insulator at small t ⊥ for any value of U and a band insulator at large t⊥. At large U values we approach the Heisenberg limit. The paramagnetic phase diagram shows at small t ⊥ a metal to Mott insulator transition at moderate U values and a Mott to band insulator transition at larger U values. We also observe a re-entrant Mott insulator to metal transition and metal to band insulator transition for increasing t ⊥ in the range of 5.5t < U < 7.5t. Finally, we discuss the obtained phase diagrams in relation to previous studies based on different many-body approaches. PACS numbers: 71.10.Fd, 71.27.+a, 71.30.+h 1.