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Chinese Physics B

Structure-dependent metal–insulator transition in one-dimensional Hubbard superlattice

Liangliang Zhang, Jin Huang, Cheng-Bo Duan, Weizhong Wang

Published Jun 25, 2015• 5 citations
Publisher

Abstract

We investigate the charge and spin gaps, and the spin structure in half-filled one-dimensional Hubbard superlattices with one repulsive site and L0 free sites per unit cell. For odd L0, it is correlated metal at the particle–hole symmetric point, and then turns into band insulator beyond this point. For even L0, the system has a Mott insulator phase around the particle–hole symmetric point and undergoes a metal–insulator transition with on-site repulsion U increasing. For large U, there exists a multiperiodic spin structure, which results from the ferromagnetic (antiferromagnetic) correlation between the nearest neighboring repulsive sites for odd (even) L0.

DOI
10.1088/1674-1056/24/7/077101

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We investigate the charge and spin gaps, and the spin structure in half-filled one-dimensional Hubbard superlattices with one repulsive site and L0 free sites per unit cell. For odd L0, it is correlated metal at the particle–hole symmetric point, and then turns into band insulator beyond this point. For even L0, the system has a Mott insulator phase around the particle–hole symmetric point and undergoes a metal–insulator transition with on-site repulsion U increasing. For large U, there exists a multiperiodic spin structure, which results from the ferromagnetic (antiferromagnetic) correlation between the nearest neighboring repulsive sites for odd (even) L0.
We discuss how entanglement of strongly correlated fermions is influenced by a superlattice structure by considering a one-dimensional Hubbard superlattice, made up of a repeated pattern of LU{L}_{U}LU​ repulsive sites followed by L0{L}_{0}L0​ free sites. Lanczos diagonalization of lattices up to 24 sites is used to calculate the von Neumann entropy and the negativity. The breakdown of particle-hole symmetry broadens the maxima of the entropy in the underdoped region, while the entanglement in the overdoped region is crucially influenced by the nature of the magnetic state, with dips at densities corresponding to repulsive-layer singlets and to $q=\ensuremath{\pi}$ (in units of inverse unit cell length, LU+L0{L}_{U}+{L}_{0}LU​+L0​) spin-density waves. At these special densities, the system is either a Mott insulator or a ``compressible insulator.'' We have also found that sites within the same repulsive layer (for ${L}_{U}\ensuremath{\ge}2$) are monogamically entangled with each other, which may provide a route to control entanglement simultaneously in different length scales.
We investigate the ground-state phase diagram of the half-filled one-dimensional Hubbard model with next-nearest-neighbor hopping using the density-matrix renormalization-group technique as well as an unrestricted Hartree-Fock approximation. We find commensurate and incommensurate disordered magnetic insulating phases and a spin-gapped metallic phase in addition to the one-dimensional Heisenberg phase. At large on-site Coulomb repulsion U, we make contact with the phase diagram of the frustrated Heisenberg chain, which has spin-gapped phases for sufficiently large frustration. For weak U, sufficiently large next-nearest-neighbor hopping t2{t}_{2}t2​ leads to a band structure with four Fermi points rather than two, producing a spin-gapped metallic phase. As U is increased in this regime, the system undergoes a Mott-Hubbard transition to a frustrated antiferromagnetic insulator.
Correlation effects in the one-dimensional Hubbard model are studied by application of the L-resolvent method. The calculations are well beyond one-particle mean field approximation. All correlations involving two neighboring sites are included exactly and higher order correlations are approximated. The effects of varying temperature, band filling, Coulomb repulsion and external magnetic field are investigated. Two-site correlations for non-half-filled band fillings are calculated for the first time. Some exact relations between correlation functions are derived by electron-hole symmetry. Results indicate that short-range spin correlations always favor antiferromagnetic order. Large Coulomb repulsion induces a gap in the excitation spectrum and a metal-insulator transition is predicted as the Coulomb repulsion parameter is changed.
We study the phase diagram of a half-filled one-dimensional superlattice Hubbard model with an alternating orbital energy ± ϵ/2 and on-site Coulomb repulsion U(A) and U(B) using the density-matrix renormalization group and finite-size scaling analysis. For U(A) >> U(B), we observe an incommensurate charge correlation phase. For U(B) = 0, we find a transition from the band insulating phase to the correlated metallic phase at the critical point ϵ = U(A)/2. For U(B) > 0, we find three insulating phases as in the ionic Hubbard model. In the gapless region, the correlation functions exhibit the asymptotic behavior of power-law decay as in the Tomonaga-Luttinger liquid.
We study the metal-insulator transition in one-dimensional Hubbard superlattices, modeled by a repeated pattern of repulsive (i.e., positive on-site coupling) and free sites. The evolution of the local moment and of the charge gap (calculated from Lanczos diagonalization of chains up to 18 sites), together with a strong-coupling analysis, show that the electron density at which the system is insulating increases with the size of the free layer, relative to the repulsive one. In the insulating state, the mechanism of interaction between fermions separated by a free layer is the analog of superexchange, and the charge gap display universal features.
The charge structure factor of the half-filled Hubbard superlattices with one on-site repulsive site and [Formula: see text] free sites per unit cell is investigated numerically. The behaviors of charge structure reveal a kind of even–odd [Formula: see text] disparity. For even [Formula: see text], we always observe a commensurate charge density wave (CDW). For odd [Formula: see text], we observe a commensurate–incommensurate CDW transition at a critical on-site repulsion around the particle–hole symmetric point. This transition results from the competition between the local charge correlations with odd distance and even distance.