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Acta Physica Sinica

The phase diagram of Hubbard model with alternating chemical potentials

Xu Jing, Zhiguo Wang, Chen Yu-Guang, Shi Yun-Long, Chen Hong, (1)同济大学物理系,上海 200092; (2)雁北师范学院物理系,大同 037000; (3)雁北师范学院物理系,大同 037000;同济大学物理系,上海 200092;中国科学院上海技术物理研究所,上海 200083

Published Jan 1, 2005• 2 citations
Publisher

Abstract

We have investigated the ground-state phase diagram of the one-dimensional Hubbard model with alternating chemical potentials at half-filling by bosonization technique and the Gaussian wave functional method. We calculate variations of the charge density wave (CDW) and the spin density wave (SDW) gaps, ad well as their classical trajectory c,s with increasing on-site Coulomb repoulsion potential. For the fixed potential, it is found that the transition from the band insulator (BI) to the spontaneously dimerized insulator (SDI) is of the Ising type, at which charge gap vanishes, while the transition from SDI to the Mott insulator (MI) is of the KT type.

DOI
10.7498/aps.54.307

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We have investigated the ground-state phase diagram of the one-dimensional Hubbard model with alternating chemical potentials at half-filling by bosonization technique and the Gaussian wave functional method. We calculate variations of the charge density wave (CDW) and the spin density wave (SDW) gaps, ad well as their classical trajectory c,s with increasing on-site Coulomb repoulsion potential. For the fixed potential, it is found that the transition from the band insulator (BI) to the spontaneously dimerized insulator (SDI) is of the Ising type, at which charge gap vanishes, while the transition from SDI to the Mott insulator (MI) is of the KT type.
We revisit the ground-state phase diagram of the one-dimensional half-filled extended Hubbard model with on-site (U) and nearest-neighbor (V) repulsive interactions. In the first half of the paper, using the weak-coupling renormalization-group approach (g(g(g-ology) including second-order corrections to the coupling constants, we show that bond-charge-density-wave (BCDW) phase exists for $U\ensuremath{\approx}2V$ in between charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons disfavors the BCDW state and leads to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line. In the second half of the paper, we investigate the phase diagram of the extended Hubbard model with either additional staggered site potential $\ensuremath{\Delta}$ or bond alternation $\ensuremath{\delta}.$ Although the alternating site potential $\ensuremath{\Delta}$ strongly favors the CDW state (that is, a band insulator), the BCDW state is not destroyed completely and occupies a finite region in the phase diagram. Our result is a natural generalization of the work by Fabrizio, Gogolin, and Nersesyan [Phys. Rev. Lett. 83,83,83, 2014 (1999)], who predicted the existence of a spontaneously dimerized insulating state between a band insulator and a Mott insulator in the phase diagram of the ionic Hubbard model. The bond alternation $\ensuremath{\delta}$ destroys the SDW state and changes it into the BCDW state (or Peierls insulating state). As a result the phase diagram of the model with $\ensuremath{\delta}$ contains only a single critical line separating the Peierls insulator phase and the CDW phase. The addition of $\ensuremath{\Delta}$ or $\ensuremath{\delta}$ changes the universality class of the CDW-BCDW transition from the Gaussian transition into the Ising transition.
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 investigate the ground-state phase diagram of the one-dimensional half-filled Hubbard model with an alternating potential---a model for the charge-transfer organic materials and the ferroelectric perovskites. We numerically determine the global phase diagram of this model using the level-crossing and the phenomenological renormalization-group methods based on the exact diagonalization calculations. Our results support the mechanism of the double phase transitions between Mott and band insulators pointed out by Fabrizio, Gogolin, and Nersesyan [Phys. Rev. Lett. 83, 2014 (1999)]: We confirm the existence of the spontaneously dimerized phase as an intermediate state. Further we provide numerical evidence to check the criticalities on the phase boundaries. Especially, we perform the finite-size-scaling analysis of the excitation gap to show the two-dimensional Ising transition in the charge part. On the other hand, we confirm that the dimerized phase survives in the strong-coupling limit, which is one of the resultants of competition between the ionicity and correlation effects.
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 reexamine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site and nearest-neighbor repulsive interactions. We calculate second-order corrections to coupling constants in the weak-coupling renormalization-group approach ( g-ology) to show that the bond-charge-density-wave (BCDW) phase exists for weak couplings in between the charge-density-wave (CDW) and spin-density-wave (SDW) phases. We find that the umklapp scattering of parallel-spin electrons destabilizes the BCDW state and gives rise to a bicritical point where the CDW-BCDW and SDW-BCDW continuous-transition lines merge into the CDW-SDW first-order transition line.
In the weak-coupling regime, we analytically investigate phase diagram of a one-dimensional half-filled extended Hubbard model with nearest neighboring four-electron interaction (Q), in addition to the usual two-electron couplings (U,V>0). The additional four-electron coupling splits independent Gaussian and spin-gap transitions and also leads to the charge-gap transition. For the positive Q, the ground state exhibits three insulating phases, charge-density-wave (CDW), spin-density-wave (SDW) and bond-spin-density-wave (BSDW). For the negative Q, the phase diagram consists of five phases, which, besides the SDW and CDW phases, contain bond-charge-density-wave (BCDW), Luttinger liquid (LL) and Luther–Emery (LE) phases.