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Journal of Physics Condensed Matter

Incommensurate charge correlation and phase diagram of the one-dimensional superlattice Hubbard model at half-filling

Cheng-Bo Duan, Weizhong Wang

Published Aug 2, 2010• 7 citations
Publisher

Abstract

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.

DOI
10.1088/0953-8984/22/34/345601

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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 zero-temperature phase diagram of the half-filled one-dimensional ionic Hubbard model. This model is governed by the interplay of the on-site Coulomb repulsion and an alternating one-particle potential. Various many-body energy gaps, the charge-density-wave and bond-order parameters, the electric as well as the bond-order susceptibilities, and the density-density correlation function are calculated using the density-matrix renormalization group method. In order to obtain a comprehensive picture, we investigate systems with open as well as periodic boundary conditions and study the physical properties in different sectors of the phase diagram. A careful finite-size scaling analysis leads to results which give evidence in favor of a scenario with two quantum critical points and an intermediate spontaneously dimerized phase. Our results indicate that the phase transitions are continuous. Using a scaling ansatz we are able to read off critical exponents at the first critical point. In contrast to a bosonization approach, we do not find Ising critical exponents. We show that the low-energy physics of the strong-coupling phase can only partly be understood in terms of the strong-coupling behavior of the ordinary Hubbard model.
We examine the density-density correlation function in the Tomonaga-Luttinger liquid state for the one-dimensional extended Hubbard model with the on-site Coulomb repulsion UUU and the intersite repulsion VVV at quarter filling. By taking into account the effect of the marginally irrelevant umklapp scattering operator based on the bosonization and renormalization-group methods, we obtain the generalized analytical form of the correlation function. We show that, in the proximity to the gapped charge-ordered phase, the correlation function exhibits anomalous crossover between the pure power-law behavior and the power-law behavior with logarithmic corrections, depending on the length scale. Such a crossover is also confirmed by the highly accurate numerical density-matrix renormalization-group method.
We investigate the ground-state phase diagram of the one-dimensional 'ionic' Hubbard model with an alternating periodic potential at half-filling by numerical diagonalization of finite systems with the Lanczos and density matrix renormalization group methods. We identify an insulator–insulator phase transition from a band to a correlated insulator with simultaneous charge and bond-charge order. The transition point is characterized by the vanishing of the optical excitation gap while simultaneously the charge and spin gaps remain finite and equal. Indications for a possible second transition into a Mott-insulator phase are discussed.
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.
We report a systematic study of the transition from a band insulator (BI) to a Mott insulator (MI) in a one-dimensional Hubbard model at half-filling with an on-site Coulomb interaction U and an alternating periodic site potential V. We employ both the zero-temperature density matrix renormalization group (DMRG) method to determine the gap and critical behavior of the system and the finite-temperature transfer matrix renormalization group method to evaluate the thermodynamic properties. We find two critical points at U=Uc{U=U}_{c}U=Uc​ and U=Us{U=U}_{s}U=Us​ that separate the BI and MI phases for a given V. A charge-neutral spin-singlet exciton band develops in the BI phase (U<Uc)(U<{U}_{c})(U<Uc​) and drops below the band gap when U exceeds a special point Ue.{U}_{e}.Ue​. The exciton gap closes at the first critical point Uc{U}_{c}Uc​ while the charge and spin gaps persist and coincide between Uc<U<Us{U}_{c}<U<{U}_{s}Uc​<U<Us​ where the system is dimerized. Both the charge and spin gaps collapse at U=Us{U=U}_{s}U=Us​ when the transition to the MI phase occurs. In the MI phase (U>Us)(U>{U}_{s})(U>Us​) the charge gap increases almost linearly with U while the spin gap remains zero. These findings clarify earlier published results on the same model, and offer insights into several important issues regarding an appropriate scaling analysis of DMRG data and a full physical picture of the delicate nature of the phase transitions driven by electron correlation. The present work provides a comprehensive understanding for the critical behavior and phase diagram for the transition from BI to MI in one-dimensional correlated electron systems with a periodic alternating site potential.
We have studied a one-dimensional Hubbard superlattice with different Coulomb correlations at alternating sites for a half-filled band. Mean field calculations based on the Hartree-Fock approximation together with a real space renormalization group technique were used to study the ground state of the system. The phase diagrams obtained in these approaches agree with each other from the weak to the intermediate coupling regime. The mean field results show very quick convergence with system size. The renormalization group results indicate a spatial modulation of local moments that was identified in some previous work. Also we have studied the magnetoconductance of such superlattices which reveals several interesting points.