We study dimensionality effects on the charge gap in the dimerized Hubbard model at quarter filling, with two approaches. First, we examine three chains coupled via the interchain one-particle hopping integral t b , by the density-matrix renormalization-group (DMRG) method. Next, we consider the d =1+ε dimensional model, using the perturbative renormalization-group (PRG) method. The dimensionality is controlled through t b and ε, respectively. Both approaches lead to the conclusion that, for a finite dimerization ratio, the charge gap decreases as the dimensionality increases.
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 and
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) and drops below the band gap when U exceeds a special point
Ue. The exciton gap closes at the first critical point
Uc while the charge and spin gaps persist and coincide between
Uc<U<Us where the system is dimerized. Both the charge and spin gaps collapse at
U=Us when the transition to the MI phase occurs. In the MI phase
(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.
A new decoupling scheme is developed for the Hubbard model which provides a unified description of the spin-symmetric (paramagnetic metallic and insulating) phases as well as the broken-symmetry AFI phase. Independent of magnetic ordering, the scheme yields, in the lowest order, the correct strong-coupling bandwidth of order J (for the NN hopping model) and band gap of order U, a non-zero critical interaction strength (above which the band gap opens) only if same sublattice hopping (e.g., NNN hopping) is also present, and the correct integrated spectral weights (1/2 per spin) in each band for the half-filled model. The effects of charge and spin fluctuations, including spin twisting due to finite spin correlation length, are investigated with a static, random approximation. A self-consistent evaluation of the disorder-averaged self energy within the CPA is carried out numerically. Fluctuations activate the hopping term at first order resulting in band broadening, and the consequent decrease in the band gap with fluctuation strength is obtained for several U values in two and three dimensions. We find that the band gap shrinks to zero continuously, and subsequently the density of states N(0) between the bands grows continuously, leading to a continuous metal-insulator transition. For finite doping there is transfer of spectral weight between the Hubbard bands, and a qualitative change in the nature of the quasiparticle band dispersion, with an effective doping-induced hopping strength and bandwidth of order xt.