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arXiv:1608.02929 · Journal of Physics Condensed Matter

Magnetic order and Mott transition on the checkerboard lattice

Nyayabanta Swain, Pinaki Majumdar

Published Dec 21, 2016• 5 citations
arXivHTMLPDF

Abstract

The checkerboard lattice, with alternating 'crossed' plaquettes, serves as the two dimensional analog of the pyrochlore lattice. The corner sharing plaquette structure leads to a hugely degenerate ground state, and no magnetic order, for classical spins with short range antiferromagnetic interaction. For the half-filled Hubbard model on this structure, however, we find that the Mott insulating phase involves virtual electronic processes that generate longer range and multispin couplings. These couplings lift the degeneracy, selecting a 'flux like' state in the Mott insulator. Increasing temperature leads, strangely, to a sharp crossover from this state to a '120 degree' correlated state and then a paramagnet. Decrease in the Hubbard repulsion drives the system towards an insulator-metal transition-the moments reduce, and a spin disordered state wins over the flux state. Near the insulator-metal transition the electron system displays a pseudogap extending over a large temperature window.

DOI
10.1088/1361-648x/aa5515

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The checkerboard lattice, with alternating 'crossed' plaquettes, serves as the two dimensional analog of the pyrochlore lattice. The corner sharing plaquette structure leads to a hugely degenerate ground state, and no magnetic order, for classical spins with short range antiferromagnetic interaction. For the half-filled Hubbard model on this structure, however, we find that the Mott insulating phase involves virtual electronic processes that generate longer range and multispin couplings. These couplings lift the degeneracy, selecting a 'flux like' state in the Mott insulator. Increasing temperature leads, strangely, to a sharp crossover from this state to a '120 degree' correlated state and then a paramagnet. Decrease in the Hubbard repulsion drives the system towards an insulator-metal transition-the moments reduce, and a spin disordered state wins over the flux state. Near the insulator-metal transition the electron system displays a pseudogap extending over a large temperature window.
Coulomb repulsion between electrons moving on a frustrated lattice can give rise, at simple commensurate electronic densities, to exotic insulating phases of matter. Such a phenomenon is illustrated using an extended $t\text{\ensuremath{-}}J$ model on a planar pyrochlore lattice for which the work on the quarter-filled case [D. Poilblanc et al., Phys. Rev. B 75, 220503 (2007)] is complemented and extended to 1∕81∕81∕8 and 3∕83∕83∕8 fillings. The location of the metal-insulator transition as a function of the Coulomb repulsion is shown to depend strongly on the sign of the hopping. Quite generally, the metal-insulator transition is characterized by lattice symmetry breaking but the nature of the insulating Mott state is more complex than a simple charge density wave. Indeed, in the limit of large Coulomb repulsion, the physics can be described in the framework of (extended) quantum fully packed loop or dimer models carrying extra spin degrees of freedom. Various diagonal and off-diagonal plaquette correlation functions are computed and the low-energy spectra are analyzed in detail in order to characterize the nature of the insulating phases. We provide evidence that, as for an electronic density of n=1∕2n=1∕2n=1∕2 (quarter filling), the system at n=1∕4n=1∕4n=1∕4 or n=3∕4n=3∕4n=3∕4 exhibits also plaquette order by forming a (lattice rotationally invariant) resonant singlet pair crystal, although with a quadrupling of the lattice unit cell (instead of a doubling for n=1∕2n=1∕2n=1∕2) and a fourfold degenerate ground state. Interestingly, qualitative differences with the bosonic analog (e.g., known to exhibit columnar order at n=1∕4n=1∕4n=1∕4) emphasize the important role of the spin degrees of freedom in, e.g., stabilizing plaquette phases with respect to rotational symmetry-breaking phases.
Abstract We consider the extended Hubbard model on a two-dimensional square lattice at half-filling. The model is investigated using the strong coupling diagram technique. We sum infinite series of ladder diagrams allowing for full-scale charge and spin fluctuations and the actual short-range antiferromagnetic order for nonzero temperatures. In agreement with earlier results, we find the first-order phase transition in the charge subsystem occurring at v = v c ≳ U/4 with v and U the intersite and on-site Coulomb repulsion constants. The transition reveals itself in an abrupt sign change of a sharp maximum in the zero-frequency charge susceptibility at the corner of the Brillouin. States arising at the transition have alternating deviations of electron occupations from the mean value on neighboring sites. Due to fluctuations, these alternating occupation deviations have short-range order. For the considered parameters, such behavior is found for U ≲ 5t with t the hopping constant. For the insulating case U ≳ 6t, in which the transition is not observed, we find a continuous growth of the Mott gap with v. The evolution of the electron density of states with increasing v is also considered.
In a half-filled Hubbard model on a square lattice, the next-nearest-neighbor hopping causes spin frustration, and the collinear antiferromagnetic (CAF) state appears as the ground state with suitable parameters. We find that there is a metal-insulator transition in the CAF state at a critical on-site repulsion. When the repulsion is small, the CAF state is metallic, and a van Hove singularity can be close to the Fermi surface, resulting in either a kink or a discontinuity in the magnetic moment. When the on-site repulsion is large, the CAF state is a Mott insulator. A first-order transition from the CAF phase to the antiferromagnetic phase and a second-order phase transition from the CAF phase to the paramagnetic phase are obtained in the phase diagram at zero temperature.
An extended Hubbard model (including nearest-neighbor repulsion and antiferromagnetic spin exchange) is investigated on the frustrated checkerboard lattice, a two-dimensional analog of the pyrochlore lattice. Combining Gutzwiller renormalized mean-field calculations, exact diagonalization techniques, and a weak-coupling renormalization group analysis we provide strong evidence for a crystalline valence bond plaquette phase at quarter-filling. The ground state is twofold degenerate and breaks translation symmetry. The bond energies show a staggering while the charge distribution remains uniform.
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 C4v{C}_{4v}C4v​ 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.
The Quantum Monte Carlo simulations of the ionic Hubbard model on a two-dimensional square lattice at half filling were performed. The method based on the direct-space, proposed by Suzuki and al., Hirsch and al., was used. Cycles of increasing and decreasing values of the Coulomb interaction $ U $ were performed for fixed temperature ($ kT=0.01 $). Results indicate that, at low temperature, the two insulator phases are separated by a metallic phase for weak to intermediate values of the staggered potential $ Δ$. For large Coulomb repulsion the system is in a Mott insulator with an antiferromagnetism order. On increasing and decreasing the Coulomb interaction $ U $ the metal-Mott insulator transition shows an hysteresis phenomenon while the metal-band insulator transition is continue. For large $ Δ$ it seems that the metallic region shrinks to a single metallic point. However, the band insulator to the Mott insulator transition is not direct for the studied model. A phase diagram is drawn for the temperature $ kT=0.01 $. For $ Δ=0.5 $ cycles of increasing and decreasing temperature were programmed for different values of the Coulomb interaction $ U $ . A behaviour change appears for $ U\simeq 1.75 $. This suggests that a crossover line divides the metallic region of the phase diagram.