Quantum Monte Carlo Study of an Interaction-Driven Band-Insulator–to–Metal Transition

Paris, Norman; Bouadim, Karim; Hébert, F.; Batrouni, G. G.; Scalettar, Richard

doi:10.1103/physrevlett.98.046403

Cited by 107 publications

(127 citation statements)

References 32 publications

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“…Recently the evolution of a band insulator (BI) into a Mott insulator upon increasing the interaction strength has been studied in the context of the ionic Hubbard model, 5,6,7,8,9,10,11,12 a two-band Hubbard model with crystal-field splitting, 13 and a bilayer model with two identical Hubbard planes coupled by single-particle hopping. 14,15,16,17,18 Different scenarios have emerged with the possibility of an intervening phase and continuous or discontinuous transitions at critical interaction strengths.…”

Section: Introductionmentioning

confidence: 99%

Correlations in a band insulator

et al. 2009

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We study a model of a covalent band insulator with on-site Coulomb repulsion at half-filling using dynamical mean-field theory. Upon increasing the interaction strength the system undergoes a discontinuous transition from a correlated band insulator to a Mott insulator with hysteretic behavior at low temperatures. Increasing the temperature in the band insulator close to the insulator-insulator transition we find a crossover to a Mott insulator at elevated temperatures. Remarkably, correlations decrease the energy gap in the correlated band insulator. The gap renormalization can be traced to the low-frequency behavior of the self-energy, analogously to the quasiparticle renormalization in a Fermi liquid. While the uncorrelated band insulator is characterized by a single gap for both charge and spin excitations, the spin gap is smaller than the charge gap in the correlated system.

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Section: Introductionmentioning

confidence: 99%

Correlations in a band insulator

et al. 2009

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“…This bears a strong resemblance to the dispersion relation of the 2D IHM whose superlattice potential ∆ j (−1) j n j similarly has the effect of opening a band gap at q = (π, π), altering the ∆ = 0 dispersion relation ǫ q to E q = ± ǫ 2 q + ∆ 2 . Real space Quantum Monte Carlo (QMC) [8] has supplemented DMFT studies of the IHM [6] by allowing for magnetic order and concluded that U could cause the appearance of a metallic phase. However, despite the similarity in E q between the IHM and Eq.…”

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confidence: 99%

Magnetic transition in a correlated band insulator

et al. 2013

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The effect of on-site electron-electron repulsion U in a band insulator is explored for a bilayer Hubbard Hamiltonian with opposite sign hopping in the two sheets. The ground state phase diagram is determined at half-filling in the plane of U and the interplanar hybridization V through a computation of the antiferromagnetic (AF) structure factor, local moments, single particle and spin wave spectra, and spin correlations. Unlike the case of the ionic Hubbard model, no evidence is found for a metallic phase intervening between the Mott and band insulators. Instead, upon increase of U at large V , the behavior of the local moments and of single-particle spectra give quantitative evidence of a crossover to a Mott insulator state preceeding the onset of magnetic order. Our conclusions generalize those of single-site dynamical mean field theory, and show that including interlayer correlations results in an increase of the single particle gap with U .

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“…Analytic and numeric studies on such Hamiltonians are quite numerous. 17,18,31,32,33,34,35,36,37,38,39,40,41,42 It is useful to review the strong coupling (t = 0) phase diagram, since when the hopping is nonzero the topology of the phase diagram is rather similar qualitatively and even quantitatively. In the absence of an interaction with the lattice, the SDW phase, which consists of a collection of singly occupied sites, has energy E t=0 SDW = N V , while the CDW phase has alternating empty and doubly occupied sites, and energy E t=0 CDW = N U/2.…”

Section: Model and Computational Methodsmentioning

confidence: 99%

“…In this "ionic Hubbard model" the frozen distortions have an alternating pattern down the chain, 16 and an additional issue is the possibility that the band insulator at U = 0 and half filling is first driven metallic before becoming a SDW Mott insulator. 17,18 If the coupling of the electrons to the lattice is in the form of dynamically varying phonon degrees of freedom, one has the HubbardHolstein or Su-Schrieffer-Heeger Hamiltonian.…”

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Static versus dynamic fluctuations in the one-dimensional extended Hubbard model

et al. 2007

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The extended Hubbard Hamiltonian is a widely accepted model for uncovering the effects of strong correlations on the phase diagram of low-dimensional systems, and a variety of theoretical techniques have been applied to it. In this paper the world-line quantum Monte Carlo method is used to study spin, charge, and bond order correlations of the one-dimensional extended Hubbard model in the presence of coupling to the lattice. A static alternating lattice distortion (the ionic Hubbard model) leads to enhanced charge density wave correlations at the expense of antiferromagnetic order. When the lattice degrees of freedom are dynamic (the Hubbard-Holstein model), we show that a similar effect occurs even though the charge asymmetry must arise spontaneously. Although the evolution of the total energy with lattice coupling is smooth, the individual components exhibit sharp crossovers at the phase boundaries. Finally, we observe a tendency for bond order in the region between the charge and spin density wave phases.

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Quantum Monte Carlo Study of an Interaction-Driven Band-Insulator–to–Metal Transition

Cited by 107 publications

References 32 publications

Correlations in a band insulator

Correlations in a band insulator

Magnetic transition in a correlated band insulator

Static versus dynamic fluctuations in the one-dimensional extended Hubbard model

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